Summary

IMPPAT Phytochemical identifier: IMPHY004736

Phytochemical name: 7,3',4'-Trihydroxyflavone 7-glucoside

Synonymous chemical names:
4-trihydroxy flavone-7-glycoside

External chemical identifiers:
CID:44257574

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Chemical structure information

SMILES:
OCC1O[C@@H](Oc2ccc3c(c2)oc(cc3=O)c2ccc(c(c2)O)O)C([C@H]([C@@H]1O)O)O

InChI:
InChI=1S/C21H20O10/c22-8-17-18(26)19(27)20(28)21(31-17)29-10-2-3-11-13(24)7-15(30-16(11)6-10)9-1-4-12(23)14(25)5-9/h1-7,17-23,25-28H,8H2/t17?,18-,19+,20?,21-/m1/s1

InChIKey:
IVCZEZUJCMWBBR-LZNFGNRXSA-N

DeepSMILES:
OCCO[C@@H]Occcccc6)occc6=O)))cccccc6)O))O)))))))))))))C[C@H][C@@H]6O))O))O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc(-c2ccccc2)oc2cc(OC3CCCCO3)ccc12

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

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

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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: 1.638

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Chemical structure download