Summary

IMPPAT Phytochemical identifier: IMPHY002842

Phytochemical name: Taxifolin 7-glucoside

Synonymous chemical names:
7-o-beta-d-glucopyranoside-(2r,3r)-3,3,4,5,7-pentahydroxyflavanone, 7-o-beta-d-glucopyranoside-(2r,3s)-3,3,4,5,7-pentahydroxyflavan, taxifolin-7-glucoside

External chemical identifiers:
CID:14282775, ZINC:ZINC000004096107, FDASRS:743G7JDN9T

---

Chemical structure information

SMILES:
OC[C@H]1O[C@@H](Oc2cc3O[C@H](c4ccc(c(c4)O)O)[C@H](C(=O)c3c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O)O

InChI:
InChI=1S/C21H22O12/c22-6-13-15(26)17(28)19(30)21(33-13)31-8-4-11(25)14-12(5-8)32-20(18(29)16(14)27)7-1-2-9(23)10(24)3-7/h1-5,13,15,17-26,28-30H,6H2/t13-,15-,17+,18+,19-,20-,21-/m1/s1

InChIKey:
BJAHHJOBSKZTFE-JUIPTLLLSA-N

DeepSMILES:
OC[C@H]O[C@@H]OcccO[C@H]cccccc6)O))O)))))[C@H]C=O)c6cc%10)O))))O))))))))[C@@H][C@H][C@@H]6O))O))O

Functional groups:
CO, cC(C)=O, cO, cOC, cO[C@@H](C)OC

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC(c2ccccc2)Oc2cc(OC3CCCCO3)ccc21

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2CC(OC3CCCCO3)CCC12

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2CC(CC3CCCCC3)CCC12

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: Flavonoid glycosides

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Dihydroflavonols

NP-Likeness score: 2.404

---

Chemical structure download