Natural Product: NPC1769
Natural Product ID:   | NPC1769 |
Common Name*:   | PLAPMLGJVGLZOV-ASUBHRBBSA-N |
IUPAC Name:   | n.a. |
Synonyms:   | |
Standard InCHIKey:   | PLAPMLGJVGLZOV-ASUBHRBBSA-N |
Standard InCHI:   | InChI=1S/C21H20O11/c22-6-14-17(28)18(29)19(30)21(32-14)16-11(26)4-10(25)15-12(27)5-13(31-20(15)16)7-1-2-8(23)9(24)3-7/h1-5,14,17-19,21-26,28-30H,6H2/t14?,17-,18?,19-,21+/m1/s1 |
SMILES:   | c1cc(c(cc1c1cc(=O)c2c(cc(c(c2o1)[C@H]1[C@@H](C([C@@H](C(CO)O1)O)O)O)O)O)O)O
|
Synthetic Gene Cluster:   |
n.a. |
ChEMBL Identifier:   |
n.a. |
PubChem CID:   |
44257907 |
Chemical Classification**:   |
-
CHEMONTID:0000000 [Organic compounds]
-
[CHEMONTID:0000261] Phenylpropanoids and polyketides
-
[CHEMONTID:0000334] Flavonoids
[CHEMONTID:0001111] Flavonoid glycosides[CHEMONTID:0001737] Flavonoid C-glycosides[CHEMONTID:0003535] Flavonoid 8-C-glycosides
|
*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 |
NPO25114 |
Linum usitatissimum |
Species |
Linaceae |
Eukaryota |
Seeds |
n.a. |
|
DOI[10.1002/ejlt.201100207] |
NPO25114 |
Linum usitatissimum |
Species |
Linaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
DOI[10.1007/s11746-997-0093-1] |
NPO7530 |
Cucumis sativus |
Species |
Cucurbitaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
DOI[10.1016/j.jfca.2004.07.004] |
NPO7530 |
Cucumis sativus |
Species |
Cucurbitaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
DOI[10.1016/j.jfca.2005.08.001] |
NPO25114 |
Linum usitatissimum |
Species |
Linaceae |
Eukaryota |
Seeds |
n.a. |
|
DOI[10.5219/332] |
NPO15454 |
Vitex rotundifolia |
Species |
Lamiaceae |
Eukaryota |
Fruits |
n.a. |
n.a. |
PMID[10579867] |
NPO26343 |
Fagopyrum esculentum |
Species |
Polygonaceae |
Eukaryota |
n.a. |
seed |
n.a. |
PMID[10898633] |
NPO15454 |
Vitex rotundifolia |
Species |
Lamiaceae |
Eukaryota |
subterranean part |
n.a. |
n.a. |
PMID[11374949] |
NPO15454 |
Vitex rotundifolia |
Species |
Lamiaceae |
Eukaryota |
n.a. |
fruit |
n.a. |
PMID[11536386] |
NPO8210 |
Trigonella foenum-graecum |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[11599360] |
NPO15454 |
Vitex rotundifolia |
Species |
Lamiaceae |
Eukaryota |
fruits |
n.a. |
n.a. |
PMID[11975496] |
NPO7530 |
Cucumis sativus |
Species |
Cucurbitaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[12379786] |
NPO7530 |
Cucumis sativus |
Species |
Cucurbitaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[18460139] |
NPO8210 |
Trigonella foenum-graecum |
Species |
Fabaceae |
Eukaryota |
n.a. |
seed |
n.a. |
PMID[21381697] |
NPO10149 |
Lespedeza bicolor |
Species |
Fabaceae |
Eukaryota |
roots |
n.a. |
n.a. |
PMID[21911291] |
NPO25114 |
Linum usitatissimum |
Species |
Linaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[22537213] |
NPO7530 |
Cucumis sativus |
Species |
Cucurbitaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[23507362] |
NPO15454 |
Vitex rotundifolia |
Species |
Lamiaceae |
Eukaryota |
fruits |
n.a. |
n.a. |
PMID[24035341] |
NPO25114 |
Linum usitatissimum |
Species |
Linaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[24417583] |
NPO20598 |
Lythrum salicaria |
Species |
Lythraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[24459770] |
NPO28626 |
Isodon rubescens |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[25590529] |
NPO25114 |
Linum usitatissimum |
Species |
Linaceae |
Eukaryota |
Seeds |
n.a. |
n.a. |
PMID[26923696] |
NPO10149 |
Lespedeza bicolor |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[31675225] |
NPO8210 |
Trigonella foenum-graecum |
Species |
Fabaceae |
Eukaryota |
Seed |
n.a. |
n.a. |
Database[FooDB] |
NPO8210 |
Trigonella foenum-graecum |
Species |
Fabaceae |
Eukaryota |
Fruit |
n.a. |
n.a. |
Database[FooDB] |
NPO26343 |
Fagopyrum esculentum |
Species |
Polygonaceae |
Eukaryota |
n.a. |
n.a. |
|
Database[FooDB] |
NPO7530 |
Cucumis sativus |
Species |
Cucurbitaceae |
Eukaryota |
n.a. |
n.a. |
|
Database[FooDB] |
NPO7530 |
Cucumis sativus |
Species |
Cucurbitaceae |
Eukaryota |
Seed |
n.a. |
n.a. |
Database[FooDB] |
NPO7530 |
Cucumis sativus |
Species |
Cucurbitaceae |
Eukaryota |
Fruit |
n.a. |
n.a. |
Database[FooDB] |
NPO8210 |
Trigonella foenum-graecum |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
|
Database[FooDB] |
NPO25114 |
Linum usitatissimum |
Species |
Linaceae |
Eukaryota |
Seed Oil |
n.a. |
n.a. |
Database[FooDB] |
NPO26343 |
Fagopyrum esculentum |
Species |
Polygonaceae |
Eukaryota |
Leaf |
n.a. |
n.a. |
Database[FooDB] |
NPO7530 |
Cucumis sativus |
Species |
Cucurbitaceae |
Eukaryota |
Seed Oil |
n.a. |
n.a. |
Database[FooDB] |
NPO24492 |
Tamarindus indica |
Species |
Fabaceae |
Eukaryota |
Leaf |
n.a. |
n.a. |
Database[FooDB] |
NPO2838 |
Verbena officinalis |
Species |
Verbenaceae |
Eukaryota |
Leaf |
n.a. |
n.a. |
Database[FooDB] |
NPO26343 |
Fagopyrum esculentum |
Species |
Polygonaceae |
Eukaryota |
Stem |
n.a. |
n.a. |
Database[FooDB] |
NPO2838 |
Verbena officinalis |
Species |
Verbenaceae |
Eukaryota |
Stem |
n.a. |
n.a. |
Database[FooDB] |
NPO8210 |
Trigonella foenum-graecum |
Species |
Fabaceae |
Eukaryota |
|
n.a. |
n.a. |
Database[FooDB] |
NPO26343 |
Fagopyrum esculentum |
Species |
Polygonaceae |
Eukaryota |
|
n.a. |
n.a. |
Database[FooDB] |
NPO2838 |
Verbena officinalis |
Species |
Verbenaceae |
Eukaryota |
|
n.a. |
n.a. |
Database[FooDB] |
NPO8210 |
Trigonella foenum-graecum |
Species |
Fabaceae |
Eukaryota |
Leaf |
n.a. |
n.a. |
Database[FooDB] |
NPO25114 |
Linum usitatissimum |
Species |
Linaceae |
Eukaryota |
|
n.a. |
n.a. |
Database[FooDB] |
NPO26343 |
Fagopyrum esculentum |
Species |
Polygonaceae |
Eukaryota |
Plant |
n.a. |
n.a. |
Database[FooDB] |
NPO7530 |
Cucumis sativus |
Species |
Cucurbitaceae |
Eukaryota |
|
n.a. |
n.a. |
Database[FooDB] |
NPO2838 |
Verbena officinalis |
Species |
Verbenaceae |
Eukaryota |
Plant |
n.a. |
n.a. |
Database[FooDB] |
NPO24492 |
Tamarindus indica |
Species |
Fabaceae |
Eukaryota |
|
n.a. |
n.a. |
Database[FooDB] |
NPO8210 |
Trigonella foenum-graecum |
Species |
Fabaceae |
Eukaryota |
Plant |
n.a. |
n.a. |
Database[FooDB] |
NPO7530 |
Cucumis sativus |
Species |
Cucurbitaceae |
Eukaryota |
Cotyledon |
n.a. |
n.a. |
Database[FooDB] |
NPO2838 |
Verbena officinalis |
Species |
Verbenaceae |
Eukaryota |
Root |
n.a. |
n.a. |
Database[FooDB] |
NPO26343 |
Fagopyrum esculentum |
Species |
Polygonaceae |
Eukaryota |
Flower |
n.a. |
n.a. |
Database[FooDB] |
NPO26343 |
Fagopyrum esculentum |
Species |
Polygonaceae |
Eukaryota |
Seed |
n.a. |
n.a. |
Database[FooDB] |
NPO24492 |
Tamarindus indica |
Species |
Fabaceae |
Eukaryota |
Flower |
n.a. |
n.a. |
Database[FooDB] |
NPO25114 |
Linum usitatissimum |
Species |
Linaceae |
Eukaryota |
Seed |
n.a. |
n.a. |
Database[FooDB] |
NPO2838 |
Verbena officinalis |
Species |
Verbenaceae |
Eukaryota |
Flower |
n.a. |
n.a. |
Database[FooDB] |
NPO24492 |
Tamarindus indica |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
|
Database[FooDB] |
NPO24492 |
Tamarindus indica |
Species |
Fabaceae |
Eukaryota |
Seed |
n.a. |
n.a. |
Database[FooDB] |
NPO24492 |
Tamarindus indica |
Species |
Fabaceae |
Eukaryota |
Fruit |
n.a. |
n.a. |
Database[FooDB] |
NPO25114 |
Linum usitatissimum |
Species |
Linaceae |
Eukaryota |
n.a. |
n.a. |
|
Database[FooDB] |
NPO31187 |
Rabdosia rubescens |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO2838 |
Verbena officinalis |
Species |
Verbenaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO15454 |
Vitex rotundifolia |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO25114 |
Linum usitatissimum |
Species |
Linaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO30626 |
Trigonella foenum |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO30887 |
Siegesbeckia orientalis |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO26212 |
Fagopyrum tataricum |
Species |
Polygonaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO29464 |
Kyllinga brevifolia |
Species |
Cyperaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO3176 |
Rabdosia nervosa |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO23807 |
Trollius macropetalus |
Species |
Ranunculaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO20598 |
Lythrum salicaria |
Species |
Lythraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO7530 |
Cucumis sativus |
Species |
Cucurbitaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO24492 |
Tamarindus indica |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO26343 |
Fagopyrum esculentum |
Species |
Polygonaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO9427 |
Lemna minor |
Species |
Araceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO31017 |
Polygonum orientale |
Species |
Polygonaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO10149 |
Lespedeza bicolor |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO14715 |
Trollius chinensis |
Species |
Ranunculaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO2838 |
Verbena officinalis |
Species |
Verbenaceae |
Eukaryota |
n.a. |
n.a. |
|
Database[Phenol-Explorer] |
NPO8210 |
Trigonella foenum-graecum |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
|
Database[Phenol-Explorer] |
NPO15454 |
Vitex rotundifolia |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO26343 |
Fagopyrum esculentum |
Species |
Polygonaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO20598 |
Lythrum salicaria |
Species |
Lythraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO8210 |
Trigonella foenum-graecum |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO29464 |
Kyllinga brevifolia |
Species |
Cyperaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO10149 |
Lespedeza bicolor |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO23241 |
Sigesbeckia orientalis |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO24492 |
Tamarindus indica |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO25716 |
Persicaria orientalis |
Species |
Polygonaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO28626 |
Isodon rubescens |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO7530 |
Cucumis sativus |
Species |
Cucurbitaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO2838 |
Verbena officinalis |
Species |
Verbenaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO23807 |
Trollius macropetalus |
Species |
Ranunculaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO14715 |
Trollius chinensis |
Species |
Ranunculaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO26212 |
Fagopyrum tataricum |
Species |
Polygonaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO9427 |
Lemna minor |
Species |
Araceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO25114 |
Linum usitatissimum |
Species |
Linaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO3176 |
Rabdosia nervosa |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO23807 |
Trollius macropetalus |
Species |
Ranunculaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO24492 |
Tamarindus indica |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO8210 |
Trigonella foenum-graecum |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO2838 |
Verbena officinalis |
Species |
Verbenaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO31187 |
Rabdosia rubescens |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO7530 |
Cucumis sativus |
Species |
Cucurbitaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO3176 |
Rabdosia nervosa |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO31017 |
Polygonum orientale |
Species |
Polygonaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO20598 |
Lythrum salicaria |
Species |
Lythraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO30887 |
Siegesbeckia orientalis |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO10149 |
Lespedeza bicolor |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO26343 |
Fagopyrum esculentum |
Species |
Polygonaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO25114 |
Linum usitatissimum |
Species |
Linaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO25716 |
Persicaria orientalis |
Species |
Polygonaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO15454 |
Vitex rotundifolia |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO28626 |
Isodon rubescens |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO2838 |
Verbena officinalis |
Species |
Verbenaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO8210 |
Trigonella foenum-graecum |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO26343 |
Fagopyrum esculentum |
Species |
Polygonaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO24492 |
Tamarindus indica |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO3176 |
Rabdosia nervosa |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO26212 |
Fagopyrum tataricum |
Species |
Polygonaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO9427 |
Lemna minor |
Species |
Araceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO28626 |
Isodon rubescens |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO10149 |
Lespedeza bicolor |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO23807 |
Trollius macropetalus |
Species |
Ranunculaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO25114 |
Linum usitatissimum |
Species |
Linaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO23241 |
Sigesbeckia orientalis |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO29464 |
Kyllinga brevifolia |
Species |
Cyperaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO14715 |
Trollius chinensis |
Species |
Ranunculaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO20598 |
Lythrum salicaria |
Species |
Lythraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO15454 |
Vitex rotundifolia |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO7530 |
Cucumis sativus |
Species |
Cucurbitaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO2838 |
Verbena officinalis |
Species |
Verbenaceae |
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
●  The left chart: Distribution of similarity level between NPC1769 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 | 463 |
0.1-0.2 | 1771 |
0.2-0.3 | 4048 |
0.3-0.4 | 9995 |
0.4-0.5 | 8229 |
0.5-0.6 | 3820 |
0.6-0.7 | 4990 |
0.7-0.8 | 4870 |
0.8-0.85 | 2295 |
0.85-0.9 | 1745 |
0.9-0.95 | 453 |
0.95-1 | 18 |
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 NPC1769 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).
range |
Tanimoto Coefficient |
0-0.1 | 419 |
0.1-0.2 | 908 |
0.2-0.3 | 1824 |
0.3-0.4 | 2652 |
0.4-0.5 | 1837 |
0.5-0.6 | 960 |
0.6-0.7 | 369 |
0.7-0.8 | 126 |
0.8-0.85 | 23 |
0.85-0.9 | 24 |
0.9-0.95 | 8 |
0.95-1 | 0 |
Similarity Score |
Similarity Level |
Drug ID |
Developmental Stage |