Natural Product: NPC257090
Natural Product ID:   | NPC257090 |
Common Name*:   | RKWHWFONKJEUEF-SKZNFHJNSA-O |
IUPAC Name:   | n.a. |
Synonyms:   | |
Standard InCHIKey:   | RKWHWFONKJEUEF-SKZNFHJNSA-O |
Standard InCHI:   | InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/p+1/t16-,17?,18-,19-,21?/m1/s1 |
SMILES:   | c1cc(c(cc1c1c(cc2c(cc(cc2[o+]1)O)O)OC1[C@@H]([C@@H](C([C@@H](CO)O1)O)O)O)O)O
|
Synthetic Gene Cluster:   |
n.a. |
ChEMBL Identifier:   |
n.a. |
PubChem CID:   |
92131208 |
Chemical Classification**:   |
-
CHEMONTID:0000000 [Organic compounds]
-
[CHEMONTID:0000261] Phenylpropanoids and polyketides
-
[CHEMONTID:0000334] Flavonoids
[CHEMONTID:0001111] Flavonoid glycosides[CHEMONTID:0001583] Flavonoid O-glycosides[CHEMONTID:0001361] Anthocyanins[CHEMONTID:0002996] Anthocyanidin-3-O-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 |
NPO21349 |
Punica granatum |
Species |
Lythraceae |
Eukaryota |
n.a. |
fruit |
n.a. |
DOI[10.1007/s00217-007-0799-1] |
NPO7635 |
Glycine max |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
DOI[10.1007/s11746-997-0093-1] |
NPO7635 |
Glycine max |
Species |
Fabaceae |
Eukaryota |
n.a. |
Wrocław, Poland |
2004–2005 |
DOI[10.1016/J.FOODCHEM.2006.08.014] |
NPO21349 |
Punica granatum |
Species |
Lythraceae |
Eukaryota |
n.a. |
flower |
n.a. |
DOI[10.1016/j.foodchem.2011.01.077] |
NPO7635 |
Glycine max |
Species |
Fabaceae |
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] |
NPO7635 |
Glycine max |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
DOI[10.1021/jf950732o] |
NPO19787 |
Citrus sinensis |
Species |
Rutaceae |
Eukaryota |
n.a. |
fruit |
n.a. |
PMID[10606547] |
NPO7317 |
Citrus aurantium |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[10606602] |
NPO7635 |
Glycine max |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[10775096] |
NPO21349 |
Punica granatum |
Species |
Lythraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[11520216] |
NPO21349 |
Punica granatum |
Species |
Lythraceae |
Eukaryota |
Seeds |
n.a. |
n.a. |
PMID[15620261] |
NPO7635 |
Glycine max |
Species |
Fabaceae |
Eukaryota |
n.a. |
root |
n.a. |
PMID[1622242] |
NPO7635 |
Glycine max |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[16659156] |
NPO7635 |
Glycine max |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[16668466] |
NPO23230 |
Allium cepa |
Species |
Amaryllidaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[16748484] |
NPO5270 |
Citrus natsudaidai |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[17689080] |
NPO7635 |
Glycine max |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[18460139] |
NPO23230 |
Allium cepa |
Species |
Amaryllidaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[20597533] |
NPO28265 |
Morus alba |
Species |
Moraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[20815207] |
NPO7635 |
Glycine max |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[20963508] |
NPO28265 |
Morus alba |
Species |
Moraceae |
Eukaryota |
n.a. |
bark |
n.a. |
PMID[21319773] |
NPO28265 |
Morus alba |
Species |
Moraceae |
Eukaryota |
n.a. |
root |
n.a. |
PMID[21319773] |
NPO28265 |
Morus alba |
Species |
Moraceae |
Eukaryota |
n.a. |
leaf |
n.a. |
PMID[21319773] |
NPO10856 |
Passiflora edulis |
Species |
Passifloraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[21608987] |
NPO28265 |
Morus alba |
Species |
Moraceae |
Eukaryota |
n.a. |
leaf |
n.a. |
PMID[22207282] |
NPO7635 |
Glycine max |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[22537213] |
NPO23230 |
Allium cepa |
Species |
Amaryllidaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[23656415] |
NPO28265 |
Morus alba |
Species |
Moraceae |
Eukaryota |
n.a. |
root |
n.a. |
PMID[23806866] |
NPO21771 |
Citrus trifoliata |
Species |
Rutaceae |
Eukaryota |
n.a. |
fruit |
n.a. |
PMID[23872723] |
NPO7635 |
Glycine max |
Species |
Fabaceae |
Eukaryota |
Seeds |
Tekirdag, Turkey |
|
PMID[24499198] |
NPO28265 |
Morus alba |
Species |
Moraceae |
Eukaryota |
n.a. |
Konya, Turkey |
2007-APR |
PMID[24901948] |
NPO28265 |
Morus alba |
Species |
Moraceae |
Eukaryota |
root bark |
University of Veterinary and Pharmaceutical Sciences Brno (UVPS Brno), Brno, Czech Republic |
2011-APR |
PMID[24901948] |
NPO7635 |
Glycine max |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[25053043] |
NPO7635 |
Glycine max |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[25070365] |
NPO7635 |
Glycine max |
Species |
Fabaceae |
Eukaryota |
n.a. |
seed |
n.a. |
PMID[25369450] |
NPO7635 |
Glycine max |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[25369450] |
NPO23230 |
Allium cepa |
Species |
Amaryllidaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[25650289] |
NPO28265 |
Morus alba |
Species |
Moraceae |
Eukaryota |
leaves |
Chungbuk, Korea |
n.a. |
PMID[25935644] |
NPO28265 |
Morus alba |
Species |
Moraceae |
Eukaryota |
n.a. |
root |
n.a. |
PMID[25981820] |
NPO28265 |
Morus alba |
Species |
Moraceae |
Eukaryota |
n.a. |
latex |
n.a. |
PMID[27294120] |
NPO28265 |
Morus alba |
Species |
Moraceae |
Eukaryota |
Root barks |
n.a. |
n.a. |
PMID[3097265] |
NPO21771 |
Citrus trifoliata |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[32996318] |
NPO7635 |
Glycine max |
Species |
Fabaceae |
Eukaryota |
Pericarp |
n.a. |
n.a. |
Database[FooDB] |
NPO10856 |
Passiflora edulis |
Species |
Passifloraceae |
Eukaryota |
Fruit |
n.a. |
n.a. |
Database[FooDB] |
NPO21349 |
Punica granatum |
Species |
Lythraceae |
Eukaryota |
Twig |
n.a. |
n.a. |
Database[FooDB] |
NPO21349 |
Punica granatum |
Species |
Lythraceae |
Eukaryota |
Fruit |
n.a. |
n.a. |
Database[FooDB] |
NPO23230 |
Allium cepa |
Species |
Amaryllidaceae |
Eukaryota |
|
n.a. |
n.a. |
Database[FooDB] |
NPO23230 |
Allium cepa |
Species |
Amaryllidaceae |
Eukaryota |
Fruit |
n.a. |
n.a. |
Database[FooDB] |
NPO19787 |
Citrus sinensis |
Species |
Rutaceae |
Eukaryota |
Fruit |
n.a. |
n.a. |
Database[FooDB] |
NPO7635 |
Glycine max |
Species |
Fabaceae |
Eukaryota |
Plant |
n.a. |
n.a. |
Database[FooDB] |
NPO7635 |
Glycine max |
Species |
Fabaceae |
Eukaryota |
Fruit |
n.a. |
n.a. |
Database[FooDB] |
NPO7635 |
Glycine max |
Species |
Fabaceae |
Eukaryota |
Root |
n.a. |
n.a. |
Database[FooDB] |
NPO10856 |
Passiflora edulis |
Species |
Passifloraceae |
Eukaryota |
Fruit Juice |
n.a. |
n.a. |
Database[FooDB] |
NPO21349 |
Punica granatum |
Species |
Lythraceae |
Eukaryota |
Root Bark |
n.a. |
n.a. |
Database[FooDB] |
NPO23230 |
Allium cepa |
Species |
Amaryllidaceae |
Eukaryota |
Fruit Juice |
n.a. |
n.a. |
Database[FooDB] |
NPO7635 |
Glycine max |
Species |
Fabaceae |
Eukaryota |
|
n.a. |
n.a. |
Database[FooDB] |
NPO19787 |
Citrus sinensis |
Species |
Rutaceae |
Eukaryota |
Root Bark |
n.a. |
n.a. |
Database[FooDB] |
NPO19787 |
Citrus sinensis |
Species |
Rutaceae |
Eukaryota |
Fruit Juice |
n.a. |
n.a. |
Database[FooDB] |
NPO10856 |
Passiflora edulis |
Species |
Passifloraceae |
Eukaryota |
n.a. |
n.a. |
|
Database[FooDB] |
NPO19787 |
Citrus sinensis |
Species |
Rutaceae |
Eukaryota |
|
n.a. |
n.a. |
Database[FooDB] |
NPO10856 |
Passiflora edulis |
Species |
Passifloraceae |
Eukaryota |
Seed |
n.a. |
n.a. |
Database[FooDB] |
NPO7635 |
Glycine max |
Species |
Fabaceae |
Eukaryota |
Hypocotyl |
n.a. |
n.a. |
Database[FooDB] |
NPO19787 |
Citrus sinensis |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
|
Database[FooDB] |
NPO21349 |
Punica granatum |
Species |
Lythraceae |
Eukaryota |
n.a. |
n.a. |
|
Database[FooDB] |
NPO10856 |
Passiflora edulis |
Species |
Passifloraceae |
Eukaryota |
|
n.a. |
n.a. |
Database[FooDB] |
NPO21349 |
Punica granatum |
Species |
Lythraceae |
Eukaryota |
Seed |
n.a. |
n.a. |
Database[FooDB] |
NPO21349 |
Punica granatum |
Species |
Lythraceae |
Eukaryota |
Leaf |
n.a. |
n.a. |
Database[FooDB] |
NPO7635 |
Glycine max |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
|
Database[FooDB] |
NPO21349 |
Punica granatum |
Species |
Lythraceae |
Eukaryota |
|
n.a. |
n.a. |
Database[FooDB] |
NPO23230 |
Allium cepa |
Species |
Amaryllidaceae |
Eukaryota |
Seed |
n.a. |
n.a. |
Database[FooDB] |
NPO23230 |
Allium cepa |
Species |
Amaryllidaceae |
Eukaryota |
Leaf |
n.a. |
n.a. |
Database[FooDB] |
NPO21349 |
Punica granatum |
Species |
Lythraceae |
Eukaryota |
Bark |
n.a. |
n.a. |
Database[FooDB] |
NPO7635 |
Glycine max |
Species |
Fabaceae |
Eukaryota |
Seed |
n.a. |
n.a. |
Database[FooDB] |
NPO7635 |
Glycine max |
Species |
Fabaceae |
Eukaryota |
Leaf |
n.a. |
n.a. |
Database[FooDB] |
NPO19787 |
Citrus sinensis |
Species |
Rutaceae |
Eukaryota |
Bark |
n.a. |
n.a. |
Database[FooDB] |
NPO7635 |
Glycine max |
Species |
Fabaceae |
Eukaryota |
Sprout Seedling |
n.a. |
n.a. |
Database[FooDB] |
NPO7635 |
Glycine max |
Species |
Fabaceae |
Eukaryota |
Oil |
n.a. |
n.a. |
Database[FooDB] |
NPO21349 |
Punica granatum |
Species |
Lythraceae |
Eukaryota |
Pericarp |
n.a. |
n.a. |
Database[FooDB] |
NPO23230 |
Allium cepa |
Species |
Amaryllidaceae |
Eukaryota |
Bulb |
n.a. |
n.a. |
Database[FooDB] |
NPO7635 |
Glycine max |
Species |
Fabaceae |
Eukaryota |
Stem |
n.a. |
n.a. |
Database[FooDB] |
NPO23230 |
Allium cepa |
Species |
Amaryllidaceae |
Eukaryota |
Pericarp |
n.a. |
n.a. |
Database[FooDB] |
NPO7635 |
Glycine max |
Species |
Fabaceae |
Eukaryota |
Cotyledon |
n.a. |
n.a. |
Database[FooDB] |
NPO21349 |
Punica granatum |
Species |
Lythraceae |
Eukaryota |
Stem Bark |
n.a. |
n.a. |
Database[FooDB] |
NPO19787 |
Citrus sinensis |
Species |
Rutaceae |
Eukaryota |
Pericarp |
n.a. |
n.a. |
Database[FooDB] |
NPO23230 |
Allium cepa |
Species |
Amaryllidaceae |
Eukaryota |
Flower |
n.a. |
n.a. |
Database[FooDB] |
NPO7635 |
Glycine max |
Species |
Fabaceae |
Eukaryota |
Testa |
n.a. |
n.a. |
Database[FooDB] |
NPO28265 |
Morus alba |
Species |
Moraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO10856 |
Passiflora edulis |
Species |
Passifloraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO7317 |
Citrus aurantium |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO19787 |
Citrus sinensis |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO21349 |
Punica granatum |
Species |
Lythraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO23230 |
Allium cepa |
Species |
Amaryllidaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO7635 |
Glycine max |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO7635 |
Glycine max |
Species |
Fabaceae |
Eukaryota |
n.a. |
seed |
n.a. |
Database[MetaboLights] |
NPO7635 |
Glycine max |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[MetaboLights] |
NPO10856 |
Passiflora edulis |
Species |
Passifloraceae |
Eukaryota |
Fruits |
n.a. |
|
Database[Phenol-Explorer] |
NPO21349 |
Punica granatum |
Species |
Lythraceae |
Eukaryota |
n.a. |
n.a. |
|
Database[Phenol-Explorer] |
NPO21349 |
Punica granatum |
Species |
Lythraceae |
Eukaryota |
Fruits |
n.a. |
|
Database[Phenol-Explorer] |
NPO7635 |
Glycine max |
Species |
Fabaceae |
Eukaryota |
Seeds |
n.a. |
|
Database[Phenol-Explorer] |
NPO28265 |
Morus alba |
Species |
Moraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO23230 |
Allium cepa |
Species |
Amaryllidaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO21349 |
Punica granatum |
Species |
Lythraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO7317 |
Citrus aurantium |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO21771 |
Citrus trifoliata |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO19787 |
Citrus sinensis |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO10856 |
Passiflora edulis |
Species |
Passifloraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO7635 |
Glycine max |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO7317 |
Citrus aurantium |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO23230 |
Allium cepa |
Species |
Amaryllidaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO21349 |
Punica granatum |
Species |
Lythraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO19787 |
Citrus sinensis |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO7635 |
Glycine max |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO28265 |
Morus alba |
Species |
Moraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO5270 |
Citrus natsudaidai |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[Title] |
NPO7635 |
Glycine max |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO28265 |
Morus alba |
Species |
Moraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO19787 |
Citrus sinensis |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO7317 |
Citrus aurantium |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO21771 |
Citrus trifoliata |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO5270 |
Citrus natsudaidai |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO23230 |
Allium cepa |
Species |
Amaryllidaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO21349 |
Punica granatum |
Species |
Lythraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO21349 |
Punica granatum |
Species |
Lythraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO28265 |
Morus alba |
Species |
Moraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO7635 |
Glycine max |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21771 |
Citrus trifoliata |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO10856 |
Passiflora edulis |
Species |
Passifloraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO19787 |
Citrus sinensis |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO5270 |
Citrus natsudaidai |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO7317 |
Citrus aurantium |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO23230 |
Allium cepa |
Species |
Amaryllidaceae |
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 NPC257090 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 | 459 |
0.1-0.2 | 1877 |
0.2-0.3 | 4345 |
0.3-0.4 | 9924 |
0.4-0.5 | 7999 |
0.5-0.6 | 4198 |
0.6-0.7 | 5199 |
0.7-0.8 | 5329 |
0.8-0.85 | 1656 |
0.85-0.9 | 1114 |
0.9-0.95 | 427 |
0.95-1 | 170 |
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 NPC257090 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).
range |
Tanimoto Coefficient |
0-0.1 | 418 |
0.1-0.2 | 953 |
0.2-0.3 | 1980 |
0.3-0.4 | 2678 |
0.4-0.5 | 1751 |
0.5-0.6 | 909 |
0.6-0.7 | 300 |
0.7-0.8 | 122 |
0.8-0.85 | 11 |
0.85-0.9 | 15 |
0.9-0.95 | 12 |
0.95-1 | 1 |
Similarity Score |
Similarity Level |
Drug ID |
Developmental Stage |