Summary

IMPPAT Phytochemical identifier: IMPHY001354

Phytochemical name: 8-p-Hydroxybenzylisovitexin

Synonymous chemical names:
8-c-p-hydroxybenzoylisovitexin

External chemical identifiers:
CID:102446088, ZINC:ZINC000238766073

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Chemical structure information

SMILES:
OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)c(Cc2ccc(cc2)O)c2c(c1O)c(=O)cc(o2)c1ccc(cc1)O

InChI:
InChI=1S/C28H26O11/c29-11-19-23(34)25(36)26(37)28(39-19)21-22(33)16(9-12-1-5-14(30)6-2-12)27-20(24(21)35)17(32)10-18(38-27)13-3-7-15(31)8-4-13/h1-8,10,19,23,25-26,28-31,33-37H,9,11H2/t19-,23-,25+,26-,28+/m1/s1

InChIKey:
QSEKYEYPJACWFH-JVOWPQRDSA-N

DeepSMILES:
OC[C@H]O[C@H][C@@H][C@H][C@@H]6O))O))O))ccO)cCcccccc6))O))))))ccc6O))c=O)cco6)cccccc6))O

Functional groups:
CO, COC, c=O, cO, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc(-c2ccccc2)oc2c(Cc3ccccc3)cc(C3CCCCO3)cc12

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2C(CC3CCCCC3)CC(C3CCCCO3)CC12

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2C(CC3CCCCC3)CC(C3CCCCC3)CC12

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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: Flavones

NP-Likeness score: 1.597

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Chemical structure download