100+ datasets found

  1. COCONUT 2.0 - Complete database

    • zenodo.org
    zip
    Updated Aug 28, 2024
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    Venkata Chandrasekhar Nainala; Venkata Chandrasekhar Nainala; Sri Ram Sagar Kanakam; Sri Ram Sagar Kanakam; Nisha Sharma; Nisha Sharma; Viktor Weißenborn; Viktor Weißenborn; Jonas Schaub; Jonas Schaub; Christoph Steinbeck; Christoph Steinbeck; Kohulan Rajan; Kohulan Rajan (2024). COCONUT 2.0 - Complete database [Dataset]. http://doi.org/10.5281/zenodo.13382751
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    zipAvailable download formats
    Unique identifier
    https://doi.org/10.5281/zenodo.13382751
    Dataset updated
    Aug 28, 2024
    Dataset provided by
    Zenodohttp://zenodo.org/
    Authors
    Venkata Chandrasekhar Nainala; Venkata Chandrasekhar Nainala; Sri Ram Sagar Kanakam; Sri Ram Sagar Kanakam; Nisha Sharma; Nisha Sharma; Viktor Weißenborn; Viktor Weißenborn; Jonas Schaub; Jonas Schaub; Christoph Steinbeck; Christoph Steinbeck; Kohulan Rajan; Kohulan Rajan
    License

    Attribution 4.0 (CC BY 4.0)https://creativecommons.org/licenses/by/4.0/
    License information was derived automatically

    Description

    COCONUT (Collection of Open Natural Products) Online


    COlleCtion of Open NatUral producTs (COCONUT) is an aggregated dataset comprising elucidated and predicted natural products (NPs) from open repositories. It offers a user-friendly web interface for browsing, searching, and efficiently downloading NPs. The latest database integrates more than 63 open NP resources, providing unrestricted access to data free of charge. Each entry in the database represents a "flat" NP structure, accompanied by information on its known stereochemical forms, relevant literature, producing organisms, natural geographical distribution, and precomputed molecular properties.

    Natural products are small bioactive molecules produced by living organisms with potential applications in pharmacology and various industries. The significance of these compounds has driven global interest in NP research across diverse fields. However, despite the growing number of general and specialized NP databases, no comprehensive online resource has consolidated all known NPs in one place—until COCONUT. This became a resource facilitating NP research, enabling computational screening and other in-silico applications.

    Summary of the COCONUT database's statistics:

    Total MoleculesTotal CollectionsUnique OrganismsCitations Mapped
    621,6316355,252

    24,272

    COCONUT was meticulously assembled from a range of public databases and primary sources, including:

    S.NoDatabase nameEntries integrated in COCONUTLatest resource URL
    1AfroCancer390Fidele Ntie-Kang, Justina Ngozi Nwodo, Akachukwu Ibezim, Conrad Veranso Simoben, Berin Karaman, Valery Fuh Ngwa, Wolfgang Sippl, Michael Umale Adikwu, and Luc Meva’a Mbaze Journal of Chemical Information and Modeling 2014 54 (9), 2433-2450 https://doi.org/10.1021/ci5003697
    2AfroDB953Fidele Ntie-Kang ,Denis Zofou,Smith B. Babiaka,Rolande Meudom,Michael Scharfe,Lydia L. Lifongo,James A. Mbah,Luc Meva’a Mbaze,Wolfgang Sippl,Simon M. N. Efange https://doi.org/10.1371/journal.pone.0078085
    3AfroMalariaDB265Onguéné, P.A., Ntie-Kang, F., Mbah, J.A. et al. The potential of anti-malarial compounds derived from African medicinal plants, part III: an in silico evaluation of drug metabolism and pharmacokinetics profiling. Org Med Chem Lett 4, 6 (2014). https://doi.org/10.1186/s13588-014-0006-x
    4AnalytiCon Discovery NPs5,147Natural products are a sebset of AnalytiCon Discovery NPs https://ac-discovery.com/screening-libraries/
    5BIOFACQUIM605Pilón-Jiménez, B.A.; Saldívar-González, F.I.; Díaz-Eufracio, B.I.; Medina-Franco, J.L. BIOFACQUIM: A Mexican Compound Database of Natural Products. Biomolecules 2019, 9, 31. https://doi.org/10.3390/biom9010031
    6BitterDB685Ayana Dagan-Wiener, Antonella Di Pizio, Ido Nissim, Malkeet S Bahia, Nitzan Dubovski, Eitan Margulis, Masha Y Niv, BitterDB: taste ligands and receptors database in 2019, Nucleic Acids Research, Volume 47, Issue D1, 08 January 2019, Pages D1179–D1185, https://doi.org/10.1093/nar/gky974
    7Carotenoids Database1,195Junko Yabuzaki, Carotenoids Database: structures, chemical fingerprints and distribution among organisms, Database, Volume 2017, 2017, bax004, https://doi.org/10.1093/database/bax004
    8ChEBI NPs16,215Janna Hastings, Paula de Matos, Adriano Dekker, Marcus Ennis, Bhavana Harsha, Namrata Kale, Venkatesh Muthukrishnan, Gareth Owen, Steve Turner, Mark Williams, Christoph Steinbeck, The ChEBI reference database and ontology for biologically relevant chemistry: enhancements for 2013, Nucleic Acids Research, Volume 41, Issue D1, 1 January 2013, Pages D456–D463, https://doi.org/10.1093/nar/gks1146
    9ChEMBL NPs1,910Anna Gaulton, Anne Hersey, Michał Nowotka, A. Patrícia Bento, Jon Chambers, David Mendez, Prudence Mutowo, Francis Atkinson, Louisa J. Bellis, Elena Cibrián-Uhalte, Mark Davies, Nathan Dedman, Anneli Karlsson, María Paula Magariños, John P. Overington, George Papadatos, Ines Smit, Andrew R. Leach, The ChEMBL database in 2017, Nucleic Acids Research, Volume 45, Issue D1, January 2017, Pages D945–D954, https://doi.org/10.1093/nar/gkw1074
    10ChemSpider NPs9,740Harry E. Pence and Antony Williams Journal of Chemical Education 2010 87 (11), 1123-1124 https://doi.org/10.1021/ed100697w
    11CMAUP (cCollective molecular activities of useful plants)47,593Xian Zeng, Peng Zhang, Yali Wang, Chu Qin, Shangying Chen, Weidong He, Lin Tao, Ying Tan, Dan Gao, Bohua Wang, Zhe Chen, Weiping Chen, Yu Yang Jiang, Yu Zong Chen, CMAUP: a database of collective molecular activities of useful plants, Nucleic Acids Research, Volume 47, Issue D1, 08 January 2019, Pages D1118–D1127, https://doi.org/10.1093/nar/gky965
    12ConMedNP3,111DOI https://doi.org/10.1039/C3RA43754J
    13ETM (Ethiopian Traditional Medicine) DB1,798Bultum, L.E., Woyessa, A.M. & Lee, D. ETM-DB: integrated Ethiopian traditional herbal medicine and phytochemicals database. BMC Complement Altern Med 19, 212 (2019). https://doi.org/10.1186/s12906-019-2634-1
    14Exposome-explorer434Vanessa Neveu, Alice Moussy, Héloïse Rouaix, Roland Wedekind, Allison Pon, Craig Knox, David S. Wishart, Augustin Scalbert, Exposome-Explorer: a manually-curated database on biomarkers of exposure to dietary and environmental factors, Nucleic Acids Research, Volume 45, Issue D1, January 2017, Pages D979–D984, https://doi.org/10.1093/nar/gkw980
    15FoodDB70,385Natural products are a sebset of FoodDB https://foodb.ca/
    16GNPS (Global Natural Products Social Molecular Networking)11,103Wang, M., Carver, J., Phelan, V. et al. Sharing and community curation of mass spectrometry data with Global Natural Products Social Molecular Networking. Nat Biotechnol 34, 828–837 (2016). https://doi.org/10.1038/nbt.3597
    17HIM (Herbal Ingredients in-vivo Metabolism database)1,259Kang, H., Tang, K., Liu, Q. et al. HIM-herbal ingredients in-vivo metabolism database. J Cheminform 5, 28 (2013). https://doi.org/10.1186/1758-2946-5-28
    18HIT (Herbal Ingredients Targets)530Hao Ye, Li Ye, Hong Kang, Duanfeng Zhang, Lin Tao, Kailin Tang, Xueping Liu, Ruixin Zhu, Qi Liu, Y. Z. Chen, Yixue Li, Zhiwei Cao, HIT: linking herbal active ingredients to targets, Nucleic Acids Research, Volume 39, Issue suppl_1, 1 January 2011, Pages D1055–D1059, https://doi.org/10.1093/nar/gkq1165
    19Indofine Chemical Company46Natural products are a sebset of Indofine Chemical Company https://indofinechemical.com/
    20InflamNat664Ruihan Zhang, Jing Lin, Yan Zou, Xing-Jie Zhang, and Wei-Lie Xiao Journal of Chemical Information and Modeling 2019 59 (1), 66-73 DOI: 10.1021/acs.jcim.8b00560 <a href="https://doi.org/10.1021/acs.jcim.8b00560" target="_blank" rel="noopener

  2. COCONUT Database January2022 version CSV

    • zenodo.org
    csv
    Updated Jun 3, 2023
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    Mahnoor Zulfiqar; Mahnoor Zulfiqar (2023). COCONUT Database January2022 version CSV [Dataset]. http://doi.org/10.5281/zenodo.7704937
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    csvAvailable download formats
    Unique identifier
    https://doi.org/10.5281/zenodo.7704937
    Dataset updated
    Jun 3, 2023
    Dataset provided by
    Zenodohttp://zenodo.org/
    Authors
    Mahnoor Zulfiqar; Mahnoor Zulfiqar
    License

    Attribution 4.0 (CC BY 4.0)https://creativecommons.org/licenses/by/4.0/
    License information was derived automatically

    Description

    This is a COCONUT dump in the form of CSV format, converted from the SDF file available on the COCONUT website.

  3. n

    6645-46-1

    • coconut.naturalproducts.net
    Updated May 17, 2024
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    COCONUT - COlleCtion of Open Natural prodUcTs (2024). 6645-46-1 [Dataset]. https://coconut.naturalproducts.net/compound/coconut_id/CNP0508718.2
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    Dataset updated
    May 17, 2024
    Dataset authored and provided by
    COCONUT - COlleCtion of Open Natural prodUcTs
    License

    Attribution 4.0 (CC BY 4.0)https://creativecommons.org/licenses/by/4.0/
    License information was derived automatically

    Description

    Natural product in the COCONUT database with details of source organisms, geolocations and citations.

  4. n

    Indoxyl sulfate

    • coconut.naturalproducts.net
    Updated Sep 23, 2024
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    COCONUT - COlleCtion of Open Natural prodUcTs (2024). Indoxyl sulfate [Dataset]. https://coconut.naturalproducts.net/compound/coconut_id/CNP0308395
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    Dataset updated
    Sep 23, 2024
    Dataset authored and provided by
    COCONUT - COlleCtion of Open Natural prodUcTs
    License

    Attribution 4.0 (CC BY 4.0)https://creativecommons.org/licenses/by/4.0/
    License information was derived automatically

    Description

    Natural product in the COCONUT database with details of source organisms, geolocations and citations.

  5. n

    114191-62-7

    • coconut.naturalproducts.net
    Updated Sep 23, 2024
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    COCONUT - COlleCtion of Open Natural prodUcTs (2024). 114191-62-7 [Dataset]. https://coconut.naturalproducts.net/compound/coconut_id/CNP0292292
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    Dataset updated
    Sep 23, 2024
    Dataset authored and provided by
    COCONUT - COlleCtion of Open Natural prodUcTs
    License

    Attribution 4.0 (CC BY 4.0)https://creativecommons.org/licenses/by/4.0/
    License information was derived automatically

    Description

    Natural product in the COCONUT database with details of source organisms, geolocations and citations.

  6. n

    E-Ajoene

    • coconut.naturalproducts.net
    Updated May 17, 2024
    + more versions
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    COCONUT - COlleCtion of Open Natural prodUcTs (2024). E-Ajoene [Dataset]. https://coconut.naturalproducts.net/compounds/CNP0566589.4
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    Dataset updated
    May 17, 2024
    Dataset authored and provided by
    COCONUT - COlleCtion of Open Natural prodUcTs
    License

    Attribution 4.0 (CC BY 4.0)https://creativecommons.org/licenses/by/4.0/
    License information was derived automatically

    Description

    Natural product in the COCONUT database with details of source organisms, geolocations and citations.

  7. n

    Vaticanol B

    • coconut.naturalproducts.net
    Updated May 16, 2024
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    COCONUT - COlleCtion of Open Natural prodUcTs (2024). Vaticanol B [Dataset]. https://coconut.naturalproducts.net/compounds/CNP0233634.1
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    Dataset updated
    May 16, 2024
    Dataset authored and provided by
    COCONUT - COlleCtion of Open Natural prodUcTs
    License

    Attribution 4.0 (CC BY 4.0)https://creativecommons.org/licenses/by/4.0/
    License information was derived automatically

    Description

    Natural product in the COCONUT database with details of source organisms, geolocations and citations.

  8. n

    Data from: D-Alt

    • coconut.naturalproducts.net
    Updated Sep 23, 2024
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    COCONUT - COlleCtion of Open Natural prodUcTs (2024). D-Alt [Dataset]. https://coconut.naturalproducts.net/compounds/CNP0210547.16
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    Dataset updated
    Sep 23, 2024
    Dataset authored and provided by
    COCONUT - COlleCtion of Open Natural prodUcTs
    License

    Attribution 4.0 (CC BY 4.0)https://creativecommons.org/licenses/by/4.0/
    License information was derived automatically

    Description

    Natural product in the COCONUT database with details of source organisms, geolocations and citations.

  9. n

    Risocaine

    • coconut.naturalproducts.net
    Updated Aug 20, 2024
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    COCONUT - COlleCtion of Open Natural prodUcTs (2024). Risocaine [Dataset]. https://coconut.naturalproducts.net/compound/coconut_id/CNP0112115.0
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    Dataset updated
    Aug 20, 2024
    Dataset authored and provided by
    COCONUT - COlleCtion of Open Natural prodUcTs
    License

    Attribution 4.0 (CC BY 4.0)https://creativecommons.org/licenses/by/4.0/
    License information was derived automatically

    Description

    Natural product in the COCONUT database with details of source organisms, geolocations and citations.

  10. n

    eugenol

    • coconut.naturalproducts.net
    Updated Sep 23, 2024
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    COCONUT - COlleCtion of Open Natural prodUcTs (2024). eugenol [Dataset]. https://coconut.naturalproducts.net/compounds/CNP0134292.0
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    Dataset updated
    Sep 23, 2024
    Dataset authored and provided by
    COCONUT - COlleCtion of Open Natural prodUcTs
    License

    Attribution 4.0 (CC BY 4.0)https://creativecommons.org/licenses/by/4.0/
    License information was derived automatically

    Description

    Natural product in the COCONUT database with details of source organisms, geolocations and citations.

  11. n

    methyl citrate

    • coconut.naturalproducts.net
    Updated Sep 24, 2024
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    COCONUT - COlleCtion of Open Natural prodUcTs (2024). methyl citrate [Dataset]. https://coconut.naturalproducts.net/compounds/CNP0236196.0
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    Dataset updated
    Sep 24, 2024
    Dataset authored and provided by
    COCONUT - COlleCtion of Open Natural prodUcTs
    License

    Attribution 4.0 (CC BY 4.0)https://creativecommons.org/licenses/by/4.0/
    License information was derived automatically

    Description

    Natural product in the COCONUT database with details of source organisms, geolocations and citations.

  12. S

    (1R,2S,4S,6R,7R,8S)-6-ethyl-6-(hydroxymethyl)-1'-methoxyspiro[10-oxa-5-azatricyclo[5.3.1.04,8]undecane-2,3'-indole]-2'-one...

    • coconut.naturalproducts.net
    Updated May 17, 2024
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    COCONUT - COlleCtion of Open Natural prodUcTs (2024). (1R,2S,4S,6R,7R,8S)-6-ethyl-6-(hydroxymethyl)-1'-methoxyspiro[10-oxa-5-azatricyclo[5.3.1.04,8]undecane-2,3'-indole]-2'-one [Dataset]. https://coconut.naturalproducts.net/compounds/CNP0298980.2
    Explore at:
    Dataset updated
    May 17, 2024
    Dataset authored and provided by
    COCONUT - COlleCtion of Open Natural prodUcTs
    License

    Attribution 4.0 (CC BY 4.0)https://creativecommons.org/licenses/by/4.0/
    License information was derived automatically

    Description

    Natural product in the COCONUT database with details of source organisms, geolocations and citations.

  13. S

    3'-deoxy-5'-O-acetyladenosine

    • coconut.naturalproducts.net
    Updated Sep 23, 2024
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    COCONUT - COlleCtion of Open Natural prodUcTs (2024). 3'-deoxy-5'-O-acetyladenosine [Dataset]. https://coconut.naturalproducts.net/compounds/CNP0339156.1
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    Dataset updated
    Sep 23, 2024
    Dataset authored and provided by
    COCONUT - COlleCtion of Open Natural prodUcTs
    License

    Attribution 4.0 (CC BY 4.0)https://creativecommons.org/licenses/by/4.0/
    License information was derived automatically

    Description

    Natural product in the COCONUT database with details of source organisms, geolocations and citations.

  14. n

    Data from: BHG

    • coconut.naturalproducts.net
    Updated Sep 23, 2024
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    COCONUT - COlleCtion of Open Natural prodUcTs (2024). BHG [Dataset]. https://coconut.naturalproducts.net/compound/coconut_id/CNP0255362
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    Dataset updated
    Sep 23, 2024
    Dataset authored and provided by
    COCONUT - COlleCtion of Open Natural prodUcTs
    License

    Attribution 4.0 (CC BY 4.0)https://creativecommons.org/licenses/by/4.0/
    License information was derived automatically

    Description

    Natural product in the COCONUT database with details of source organisms, geolocations and citations.

  15. n

    Data from: 923-09-1

    • coconut.naturalproducts.net
    Updated Sep 23, 2024
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    COCONUT - COlleCtion of Open Natural prodUcTs (2024). 923-09-1 [Dataset]. https://coconut.naturalproducts.net/compound/coconut_id/CNP0606657.0
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    Dataset updated
    Sep 23, 2024
    Dataset authored and provided by
    COCONUT - COlleCtion of Open Natural prodUcTs
    License

    Attribution 4.0 (CC BY 4.0)https://creativecommons.org/licenses/by/4.0/
    License information was derived automatically

    Description

    Natural product in the COCONUT database with details of source organisms, geolocations and citations.

  16. n

    Data from: butalbital

    • coconut.naturalproducts.net
    Updated May 16, 2024
    + more versions
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    COCONUT - COlleCtion of Open Natural prodUcTs (2024). butalbital [Dataset]. https://coconut.naturalproducts.net/compound/coconut_id/CNP0415707
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    Dataset updated
    May 16, 2024
    Dataset authored and provided by
    COCONUT - COlleCtion of Open Natural prodUcTs
    License

    Attribution 4.0 (CC BY 4.0)https://creativecommons.org/licenses/by/4.0/
    License information was derived automatically

    Description

    Natural product in the COCONUT database with details of source organisms, geolocations and citations.

  17. N

    (2R,3S,4S,5R)-2-(Hydroxymethyl)-5-(1H-1,2,4-triazol-1-yl)tetrahydrofuran-3,4-diol...

    • coconut.naturalproducts.net
    Updated Sep 23, 2024
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    COCONUT - COlleCtion of Open Natural prodUcTs (2024). (2R,3S,4S,5R)-2-(Hydroxymethyl)-5-(1H-1,2,4-triazol-1-yl)tetrahydrofuran-3,4-diol [Dataset]. https://coconut.naturalproducts.net/compounds/CNP0261511.2
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    Dataset updated
    Sep 23, 2024
    Dataset authored and provided by
    COCONUT - COlleCtion of Open Natural prodUcTs
    License

    Attribution 4.0 (CC BY 4.0)https://creativecommons.org/licenses/by/4.0/
    License information was derived automatically

    Description

    Natural product in the COCONUT database with details of source organisms, geolocations and citations.

  18. n

    Data from: oxymorphone

    • coconut.naturalproducts.net
    Updated May 16, 2024
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    COCONUT - COlleCtion of Open Natural prodUcTs (2024). oxymorphone [Dataset]. https://coconut.naturalproducts.net/compound/coconut_id/CNP0295568.2
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    Dataset updated
    May 16, 2024
    Dataset authored and provided by
    COCONUT - COlleCtion of Open Natural prodUcTs
    License

    Attribution 4.0 (CC BY 4.0)https://creativecommons.org/licenses/by/4.0/
    License information was derived automatically

    Description

    Natural product in the COCONUT database with details of source organisms, geolocations and citations.

  19. n

    Data from: dicyclomine

    • coconut.naturalproducts.net
    Updated May 16, 2024
    + more versions
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    COCONUT - COlleCtion of Open Natural prodUcTs (2024). dicyclomine [Dataset]. https://coconut.naturalproducts.net/compound/coconut_id/CNP0336068.0
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    Dataset updated
    May 16, 2024
    Dataset authored and provided by
    COCONUT - COlleCtion of Open Natural prodUcTs
    License

    Attribution 4.0 (CC BY 4.0)https://creativecommons.org/licenses/by/4.0/
    License information was derived automatically

    Description

    Natural product in the COCONUT database with details of source organisms, geolocations and citations.

  20. n

    Data from: Santalcamphor

    • coconut.naturalproducts.net
    Updated Sep 23, 2024
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    COCONUT - COlleCtion of Open Natural prodUcTs (2024). Santalcamphor [Dataset]. https://coconut.naturalproducts.net/compound/coconut_id/CNP0192097
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    Dataset updated
    Sep 23, 2024
    Dataset authored and provided by
    COCONUT - COlleCtion of Open Natural prodUcTs
    License

    Attribution 4.0 (CC BY 4.0)https://creativecommons.org/licenses/by/4.0/
    License information was derived automatically

    Description

    Natural product in the COCONUT database with details of source organisms, geolocations and citations.

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Venkata Chandrasekhar Nainala; Venkata Chandrasekhar Nainala; Sri Ram Sagar Kanakam; Sri Ram Sagar Kanakam; Nisha Sharma; Nisha Sharma; Viktor Weißenborn; Viktor Weißenborn; Jonas Schaub; Jonas Schaub; Christoph Steinbeck; Christoph Steinbeck; Kohulan Rajan; Kohulan Rajan (2024). COCONUT 2.0 - Complete database [Dataset]. http://doi.org/10.5281/zenodo.13382751
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COCONUT 2.0 - Complete database

Explore at:
zipAvailable download formats
Unique identifier
https://doi.org/10.5281/zenodo.13382751
Dataset updated
Aug 28, 2024
Dataset provided by
Zenodohttp://zenodo.org/
Authors
Venkata Chandrasekhar Nainala; Venkata Chandrasekhar Nainala; Sri Ram Sagar Kanakam; Sri Ram Sagar Kanakam; Nisha Sharma; Nisha Sharma; Viktor Weißenborn; Viktor Weißenborn; Jonas Schaub; Jonas Schaub; Christoph Steinbeck; Christoph Steinbeck; Kohulan Rajan; Kohulan Rajan
License

Attribution 4.0 (CC BY 4.0)https://creativecommons.org/licenses/by/4.0/
License information was derived automatically

Description

COCONUT (Collection of Open Natural Products) Online


COlleCtion of Open NatUral producTs (COCONUT) is an aggregated dataset comprising elucidated and predicted natural products (NPs) from open repositories. It offers a user-friendly web interface for browsing, searching, and efficiently downloading NPs. The latest database integrates more than 63 open NP resources, providing unrestricted access to data free of charge. Each entry in the database represents a "flat" NP structure, accompanied by information on its known stereochemical forms, relevant literature, producing organisms, natural geographical distribution, and precomputed molecular properties.

Natural products are small bioactive molecules produced by living organisms with potential applications in pharmacology and various industries. The significance of these compounds has driven global interest in NP research across diverse fields. However, despite the growing number of general and specialized NP databases, no comprehensive online resource has consolidated all known NPs in one place—until COCONUT. This became a resource facilitating NP research, enabling computational screening and other in-silico applications.

Summary of the COCONUT database's statistics:

Total MoleculesTotal CollectionsUnique OrganismsCitations Mapped
621,6316355,252

24,272

COCONUT was meticulously assembled from a range of public databases and primary sources, including:

S.NoDatabase nameEntries integrated in COCONUTLatest resource URL
1AfroCancer390Fidele Ntie-Kang, Justina Ngozi Nwodo, Akachukwu Ibezim, Conrad Veranso Simoben, Berin Karaman, Valery Fuh Ngwa, Wolfgang Sippl, Michael Umale Adikwu, and Luc Meva’a Mbaze Journal of Chemical Information and Modeling 2014 54 (9), 2433-2450 https://doi.org/10.1021/ci5003697
2AfroDB953Fidele Ntie-Kang ,Denis Zofou,Smith B. Babiaka,Rolande Meudom,Michael Scharfe,Lydia L. Lifongo,James A. Mbah,Luc Meva’a Mbaze,Wolfgang Sippl,Simon M. N. Efange https://doi.org/10.1371/journal.pone.0078085
3AfroMalariaDB265Onguéné, P.A., Ntie-Kang, F., Mbah, J.A. et al. The potential of anti-malarial compounds derived from African medicinal plants, part III: an in silico evaluation of drug metabolism and pharmacokinetics profiling. Org Med Chem Lett 4, 6 (2014). https://doi.org/10.1186/s13588-014-0006-x
4AnalytiCon Discovery NPs5,147Natural products are a sebset of AnalytiCon Discovery NPs https://ac-discovery.com/screening-libraries/
5BIOFACQUIM605Pilón-Jiménez, B.A.; Saldívar-González, F.I.; Díaz-Eufracio, B.I.; Medina-Franco, J.L. BIOFACQUIM: A Mexican Compound Database of Natural Products. Biomolecules 2019, 9, 31. https://doi.org/10.3390/biom9010031
6BitterDB685Ayana Dagan-Wiener, Antonella Di Pizio, Ido Nissim, Malkeet S Bahia, Nitzan Dubovski, Eitan Margulis, Masha Y Niv, BitterDB: taste ligands and receptors database in 2019, Nucleic Acids Research, Volume 47, Issue D1, 08 January 2019, Pages D1179–D1185, https://doi.org/10.1093/nar/gky974
7Carotenoids Database1,195Junko Yabuzaki, Carotenoids Database: structures, chemical fingerprints and distribution among organisms, Database, Volume 2017, 2017, bax004, https://doi.org/10.1093/database/bax004
8ChEBI NPs16,215Janna Hastings, Paula de Matos, Adriano Dekker, Marcus Ennis, Bhavana Harsha, Namrata Kale, Venkatesh Muthukrishnan, Gareth Owen, Steve Turner, Mark Williams, Christoph Steinbeck, The ChEBI reference database and ontology for biologically relevant chemistry: enhancements for 2013, Nucleic Acids Research, Volume 41, Issue D1, 1 January 2013, Pages D456–D463, https://doi.org/10.1093/nar/gks1146
9ChEMBL NPs1,910Anna Gaulton, Anne Hersey, Michał Nowotka, A. Patrícia Bento, Jon Chambers, David Mendez, Prudence Mutowo, Francis Atkinson, Louisa J. Bellis, Elena Cibrián-Uhalte, Mark Davies, Nathan Dedman, Anneli Karlsson, María Paula Magariños, John P. Overington, George Papadatos, Ines Smit, Andrew R. Leach, The ChEMBL database in 2017, Nucleic Acids Research, Volume 45, Issue D1, January 2017, Pages D945–D954, https://doi.org/10.1093/nar/gkw1074
10ChemSpider NPs9,740Harry E. Pence and Antony Williams Journal of Chemical Education 2010 87 (11), 1123-1124 https://doi.org/10.1021/ed100697w
11CMAUP (cCollective molecular activities of useful plants)47,593Xian Zeng, Peng Zhang, Yali Wang, Chu Qin, Shangying Chen, Weidong He, Lin Tao, Ying Tan, Dan Gao, Bohua Wang, Zhe Chen, Weiping Chen, Yu Yang Jiang, Yu Zong Chen, CMAUP: a database of collective molecular activities of useful plants, Nucleic Acids Research, Volume 47, Issue D1, 08 January 2019, Pages D1118–D1127, https://doi.org/10.1093/nar/gky965
12ConMedNP3,111DOI https://doi.org/10.1039/C3RA43754J
13ETM (Ethiopian Traditional Medicine) DB1,798Bultum, L.E., Woyessa, A.M. & Lee, D. ETM-DB: integrated Ethiopian traditional herbal medicine and phytochemicals database. BMC Complement Altern Med 19, 212 (2019). https://doi.org/10.1186/s12906-019-2634-1
14Exposome-explorer434Vanessa Neveu, Alice Moussy, Héloïse Rouaix, Roland Wedekind, Allison Pon, Craig Knox, David S. Wishart, Augustin Scalbert, Exposome-Explorer: a manually-curated database on biomarkers of exposure to dietary and environmental factors, Nucleic Acids Research, Volume 45, Issue D1, January 2017, Pages D979–D984, https://doi.org/10.1093/nar/gkw980
15FoodDB70,385Natural products are a sebset of FoodDB https://foodb.ca/
16GNPS (Global Natural Products Social Molecular Networking)11,103Wang, M., Carver, J., Phelan, V. et al. Sharing and community curation of mass spectrometry data with Global Natural Products Social Molecular Networking. Nat Biotechnol 34, 828–837 (2016). https://doi.org/10.1038/nbt.3597
17HIM (Herbal Ingredients in-vivo Metabolism database)1,259Kang, H., Tang, K., Liu, Q. et al. HIM-herbal ingredients in-vivo metabolism database. J Cheminform 5, 28 (2013). https://doi.org/10.1186/1758-2946-5-28
18HIT (Herbal Ingredients Targets)530Hao Ye, Li Ye, Hong Kang, Duanfeng Zhang, Lin Tao, Kailin Tang, Xueping Liu, Ruixin Zhu, Qi Liu, Y. Z. Chen, Yixue Li, Zhiwei Cao, HIT: linking herbal active ingredients to targets, Nucleic Acids Research, Volume 39, Issue suppl_1, 1 January 2011, Pages D1055–D1059, https://doi.org/10.1093/nar/gkq1165
19Indofine Chemical Company46Natural products are a sebset of Indofine Chemical Company https://indofinechemical.com/
20InflamNat664Ruihan Zhang, Jing Lin, Yan Zou, Xing-Jie Zhang, and Wei-Lie Xiao Journal of Chemical Information and Modeling 2019 59 (1), 66-73 DOI: 10.1021/acs.jcim.8b00560 <a href="https://doi.org/10.1021/acs.jcim.8b00560" target="_blank" rel="noopener

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