Natural Product: NPC252655
Natural Product ID:   | NPC252655 |
Common Name*:   | UQKRCCOELQIGCU-FUQNVFFISA-N |
IUPAC Name:   | n.a. |
Synonyms:   | |
Standard InCHIKey:   | UQKRCCOELQIGCU-FUQNVFFISA-N |
Standard InCHI:   | InChI=1S/C15H26O/c1-10-5-6-11-13(2,3)12(16)14(4)7-8-15(10,11)9-14/h10-12,16H,5-9H2,1-4H3/t10-,11+,12+,14+,15-/m1/s1 |
SMILES:   | C[C@@H]1CC[C@H]2C(C)(C)[C@@H]([C@@]3(C)CC[C@@]12C3)O
|
Synthetic Gene Cluster:   |
n.a. |
ChEMBL Identifier:   |
n.a. |
PubChem CID:   |
101985389 |
Chemical Classification**:   |
-
CHEMONTID:0000000 [Organic compounds]
-
[CHEMONTID:0004603] Organic oxygen compounds
-
[CHEMONTID:0000323] Organooxygen compounds
[CHEMONTID:0000129] Alcohols and polyols[CHEMONTID:0001292] Cyclic alcohols and derivatives
|
*Note: the InCHIKey will be temporarily assigned as the "Common Name" if no IUPAC name or alternative short name is available.
**Note: the Chemical Classification was calculated by NPClassifier Version 1.5. Reference: PMID:34662515.
  Species Source
Organism ID |
Organism Name |
Taxonomy Level |
Family |
SuperKingdom |
Isolation Part |
Collection Location |
Collection Time |
Reference |
NPO163 |
Daucus carota |
Species |
Apiaceae |
Eukaryota |
|
n.a. |
n.a. |
DOI[10.1016/0045-6535(91)90110-Y] |
NPO163 |
Daucus carota |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
DOI[10.1016/j.jfca.2004.07.004] |
NPO163 |
Daucus carota |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
DOI[10.1016/j.jfca.2005.08.001] |
NPO163 |
Daucus carota |
Species |
Apiaceae |
Eukaryota |
n.a. |
retail stores, supermarkets and market stalls in Forssa and in the Helsinki area |
2003–2005 |
DOI[10.1016/j.jfca.2006.05.007] |
NPO17839 |
Machaerium mucronulatum |
Species |
Dolichopodidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
DOI[10.1016/S0031-9422(00)94598-9] |
NPO25454 |
Plumbago europaea |
Species |
Plumbaginaceae |
Eukaryota |
n.a. |
root |
n.a. |
DOI[10.2225/vol5-issue3-fulltext-4] |
NPO163 |
Daucus carota |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
1996-Sep |
PMID[10352947] |
NPO21302 |
Cladosporium herbarum |
Species |
Cladosporiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[11325242] |
NPO7174 |
Callyspongia truncata |
Species |
Callyspongiidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[12088440] |
NPO7174 |
Callyspongia truncata |
Species |
Callyspongiidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[12713420] |
NPO7090 |
Ammi majus |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[15009205] |
NPO163 |
Daucus carota |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[15877880] |
NPO21302 |
Cladosporium herbarum |
Species |
Cladosporiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[16038560] |
NPO4682 |
Lindera aggregata |
Species |
Lauraceae |
Eukaryota |
n.a. |
leaf |
n.a. |
PMID[17999353] |
NPO163 |
Daucus carota |
Species |
Apiaceae |
Eukaryota |
n.a. |
Northeastern Regional Plant Introduction Station at Geneva |
1966, 1967, and 1968 crop seasons |
PMID[18460139] |
NPO163 |
Daucus carota |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[18460139] |
NPO4682 |
Lindera aggregata |
Species |
Lauraceae |
Eukaryota |
Roots; Tubers |
n.a. |
n.a. |
PMID[19639966] |
NPO1338 |
Arcangelisia gusanlung |
Species |
Menispermaceae |
Eukaryota |
n.a. |
stem |
n.a. |
PMID[21500777] |
NPO163 |
Daucus carota |
Species |
Apiaceae |
Eukaryota |
n.a. |
exocarp |
n.a. |
PMID[21800857] |
NPO163 |
Daucus carota |
Species |
Apiaceae |
Eukaryota |
n.a. |
root |
n.a. |
PMID[21800857] |
NPO163 |
Daucus carota |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[21800857] |
NPO9604 |
Amycolatopsis lurida |
Species |
Pseudonocardiaceae |
Bacteria |
n.a. |
n.a. |
n.a. |
PMID[25323720] |
NPO16653 |
Matteuccia struthiopteris |
Species |
Onocleaceae |
Eukaryota |
rhizomes |
Liaoning province, China |
2011-SEP |
PMID[25927664] |
NPO16966 |
Leptospermum scoparium |
Species |
Myrtaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[26731565] |
NPO163 |
Daucus carota |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[2831703] |
NPO18983 |
Cleidion brevipetiolatum |
Species |
Euphorbiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[31419126] |
NPO163 |
Daucus carota |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[6821187] |
NPO8475 |
Chiloscyphus rivularis |
Species |
Lophocoleaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[9463110] |
NPO163 |
Daucus carota |
Species |
Apiaceae |
Eukaryota |
|
n.a. |
n.a. |
Database[FooDB] |
NPO163 |
Daucus carota |
Species |
Apiaceae |
Eukaryota |
Leaf |
n.a. |
n.a. |
Database[FooDB] |
NPO163 |
Daucus carota |
Species |
Apiaceae |
Eukaryota |
Plant |
n.a. |
n.a. |
Database[FooDB] |
NPO163 |
Daucus carota |
Species |
Apiaceae |
Eukaryota |
Root |
n.a. |
n.a. |
Database[FooDB] |
NPO163 |
Daucus carota |
Species |
Apiaceae |
Eukaryota |
Seed |
n.a. |
n.a. |
Database[FooDB] |
NPO163 |
Daucus carota |
Species |
Apiaceae |
Eukaryota |
Shoot |
n.a. |
n.a. |
Database[FooDB] |
NPO163 |
Daucus carota |
Species |
Apiaceae |
Eukaryota |
Tissue Culture |
n.a. |
n.a. |
Database[FooDB] |
NPO8865 |
Rubus occidentalis |
Species |
Rosaceae |
Eukaryota |
|
n.a. |
n.a. |
Database[FooDB] |
NPO16653 |
Matteuccia struthiopteris |
Species |
Onocleaceae |
Eukaryota |
|
n.a. |
n.a. |
Database[FooDB] |
NPO163 |
Daucus carota |
Species |
Apiaceae |
Eukaryota |
Fruit |
n.a. |
n.a. |
Database[FooDB] |
NPO163 |
Daucus carota |
Species |
Apiaceae |
Eukaryota |
Roots |
n.a. |
|
Database[FooDB] |
NPO163 |
Daucus carota |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO19127 |
Citrus tankan |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO16653 |
Matteuccia struthiopteris |
Species |
Onocleaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO16293 |
Babylonia japonica |
Species |
Buccinidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO7090 |
Ammi majus |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO17385 |
Magnolia acuminata |
Species |
Magnoliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO25454 |
Plumbago europaea |
Species |
Plumbaginaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO18306 |
Juniperus thurifera |
Species |
Cupressaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO11066 |
Fabiana imbricata |
Species |
Solanaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO13963 |
Laurencia elata |
Species |
Rhodomelaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO163 |
Daucus carota |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
|
Database[Phenol-Explorer] |
NPO8865 |
Rubus occidentalis |
Species |
Rosaceae |
Eukaryota |
Fruits |
n.a. |
|
Database[Phenol-Explorer] |
NPO17385 |
Magnolia acuminata |
Species |
Magnoliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO25454 |
Plumbago europaea |
Species |
Plumbaginaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO7090 |
Ammi majus |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO16653 |
Matteuccia struthiopteris |
Species |
Onocleaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO4682 |
Lindera aggregata |
Species |
Lauraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO17831 |
Millettia racemosa |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO163 |
Daucus carota |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO18306 |
Juniperus thurifera |
Species |
Cupressaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO5764 |
Ophioglossum vulgatum |
Species |
Ophioglossaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO15358 |
Entandrophragma cylindricum |
Species |
Meliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO19127 |
Citrus tankan |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO13963 |
Laurencia elata |
Species |
Rhodomelaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO11066 |
Fabiana imbricata |
Species |
Solanaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO16293 |
Babylonia japonica |
Species |
Buccinidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO17385 |
Magnolia acuminata |
Species |
Magnoliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO7090 |
Ammi majus |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO16653 |
Matteuccia struthiopteris |
Species |
Onocleaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO19127 |
Citrus tankan |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO163 |
Daucus carota |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO4682 |
Lindera aggregata |
Species |
Lauraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO163 |
Daucus carota |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO13346 |
Lindera strichnifolia |
Species |
Tineidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO10712 |
Tabebuia rosea |
Species |
Bignoniaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO12801 |
Aglaia meridionalis |
Species |
Meliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO17718 |
Artemisia schmidtiana |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO18173 |
Pyrocystis lunula |
Species |
Pyrocystaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO16158 |
Conocarpus erectus |
Species |
Combretaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO18792 |
Crotalaria lechnaultii |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO18575 |
Ochtodes crockeri |
Species |
Rhizophyllidaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO3050 |
Cladonia pseudodidyma |
Species |
Cladoniaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO15358 |
Entandrophragma cylindricum |
Species |
Meliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO1338 |
Arcangelisia gusanlung |
Species |
Menispermaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO9535 |
Cortinarius basirubescens |
Species |
Cortinariaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO11066 |
Fabiana imbricata |
Species |
Solanaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO18983 |
Cleidion brevipetiolatum |
Species |
Euphorbiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO9604 |
Amycolatopsis lurida |
Species |
Pseudonocardiaceae |
Bacteria |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21302 |
Cladosporium herbarum |
Species |
Cladosporiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO16293 |
Babylonia japonica |
Species |
Buccinidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO10513 |
Lupinus pilosus |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO17190 |
Senecio erraticus |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO7807 |
Polyporus sulphureus |
Species |
Polyporaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO6030 |
Magnolia fraseri |
Species |
Magnoliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO18306 |
Juniperus thurifera |
Species |
Cupressaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO17385 |
Magnolia acuminata |
Species |
Magnoliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO18242 |
Gleichenia glauca |
Species |
Gleicheniaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO17709 |
Timonius kaniensis |
Species |
Rubiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO19189 |
Brickellia pendula |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO13963 |
Laurencia elata |
Species |
Rhodomelaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO17596 |
Ficus maxima |
Species |
Moraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO17802 |
Simmondsia chinensis |
Species |
Simmondsiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO17831 |
Millettia racemosa |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO18377 |
Chaetomium retardatum |
Species |
Chaetomiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO3746 |
Hesperocyparis nevadensis |
Species |
Cupressaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO25454 |
Plumbago europaea |
Species |
Plumbaginaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO16966 |
Leptospermum scoparium |
Species |
Myrtaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO4682 |
Lindera aggregata |
Species |
Lauraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO8865 |
Rubus occidentalis |
Species |
Rosaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO16653 |
Matteuccia struthiopteris |
Species |
Onocleaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO18847 |
Copaifera paupera |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO12282 |
Parmelia conspersa |
Species |
Parmeliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO16829 |
Dunaliella acidophila |
Species |
Dunaliellaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO19127 |
Citrus tankan |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO15608 |
Tanacetum santolina |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO18707 |
Allium ursinum |
Species |
Amaryllidaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO19057 |
Lentinellus omphalodes |
Species |
Auriscalpiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO13594 |
Hippocratea indica |
Species |
Celastraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO18520 |
Helipterum strictum |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO12072 |
Escallonia philippiana |
Species |
Escalloniaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO5764 |
Ophioglossum vulgatum |
Species |
Ophioglossaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO163 |
Daucus carota |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO17275 |
Chamaemelum scariosum |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO11677 |
Lactobacillus acidophilus |
Species |
Lactobacillaceae |
Bacteria |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO17068 |
Talaromyces wortmanni |
Species |
Trichocomaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO8475 |
Chiloscyphus rivularis |
Species |
Lophocoleaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO7090 |
Ammi majus |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO7174 |
Callyspongia truncata |
Species |
Callyspongiidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO18061 |
Anacystis cyanea |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO17839 |
Machaerium mucronulatum |
Species |
Dolichopodidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO11603 |
Lathyrus macrorrhizus |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21938 |
Coleus carnosus |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
☑ Note for Reference:
In addition to directly collecting NP source organism data from primary literature (where reference will provided as NCBI PMID or DOI links), NPASS also integrated them from below databases:
☉ UNPD: Universal Natural Products Database [PMID: 23638153].
☉ StreptomeDB: a database of streptomycetes natural products [PMID: 33051671].
☉ TM-MC: a database of medicinal materials and chemical compounds in Northeast Asian traditional medicine [PMID: 26156871].
☉ TCM@Taiwan: a Traditional Chinese Medicine database [PMID: 21253603].
☉ TCMID: a Traditional Chinese Medicine database [PMID: 29106634].
☉ TCMSP: The traditional Chinese medicine systems pharmacology database and analysis platform [PMID: 24735618].
☉ HerDing: a herb recommendation system to treat diseases using genes and chemicals [PMID: 26980517].
☉ MetaboLights: a metabolomics database [PMID: 27010336].
☉ FooDB: a database of constituents, chemistry and biology of food species [www.foodb.ca].
  NP Quantity Composition/Concentration
Organism ID |
NP ID |
Organism Material Preparation |
Organism Part |
NP Quantity (Standard) |
NP Quantity (Minimum) |
NP Quantity (Maximum) |
Quantity Unit |
Reference |
☑ Note for Reference:
In addition to directly collecting NP quantitative data from primary literature (where reference will provided as NCBI PMID or DOI links), NPASS also integrated NP quantitative records for specific NP domains (e.g., NPS from foods or herbs) from domain-specific databases. These databases include:
☉ DUKE: Dr. Duke's Phytochemical and Ethnobotanical Databases.
☉ PHENOL EXPLORER: is the first comprehensive database on polyphenol content in foods [PMID: 24103452], its homepage can be accessed at here.
☉ FooDB: a database of constituents, chemistry and biology of food species [www.foodb.ca].
  Biological Activity
Target ID |
Target Type |
Target Name |
Target Organism |
Activity Type |
Activity Relation |
Value |
Unit |
Reference |
☑ Note for Activity Records:
☉ The quantitative biological activities were primarily integrated from ChEMBL (Version-30) database and were also directly collected from PubMed literature. PubMed PMID was provided as the reference link for each activity record.
  Chemically structural similarity: I. Similar Active Natural Products in NPASS
Top-200 similar NPs were calculated against the active-NP-set (includes 4,3285 NPs with experimentally-derived bioactivity available in NPASS)
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient ![](images/questionmark.png)
●  The left chart: Distribution of similarity level between NPC252655 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).
range |
Tanimoto Coefficient |
0-0.1 | 321 |
0.1-0.2 | 5922 |
0.2-0.3 | 18592 |
0.3-0.4 | 7682 |
0.4-0.5 | 6152 |
0.5-0.6 | 3087 |
0.6-0.7 | 809 |
0.7-0.8 | 117 |
0.8-0.85 | 9 |
0.85-0.9 | 6 |
0.9-0.95 | 0 |
0.95-1 | 0 |
Similarity Score |
Similarity Level |
Natural Product ID |
  Chemically structural similarity: II. Similar Clinical/Approved Drugs
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC252655 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).
range |
Tanimoto Coefficient |
0-0.1 | 452 |
0.1-0.2 | 4946 |
0.2-0.3 | 2758 |
0.3-0.4 | 532 |
0.4-0.5 | 293 |
0.5-0.6 | 129 |
0.6-0.7 | 36 |
0.7-0.8 | 4 |
0.8-0.85 | 0 |
0.85-0.9 | 0 |
0.9-0.95 | 0 |
0.95-1 | 0 |
Similarity Score |
Similarity Level |
Drug ID |
Developmental Stage |