Summary

IMPPAT Phytochemical identifier: IMPHY004831

Phytochemical name: 5,4'-Dihydroxy-6,7,8,3'-tetramethoxyflavone 4'-galactoside

Synonymous chemical names:
5,4'-dihydroxy-6,7,8,3'-tetramethoxyflavone

External chemical identifiers:
CID:44260064

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Chemical structure information

SMILES:
COc1cc(ccc1O[C@@H]1O[C@H](O)[C@@H](C(C1O)O)O)c1cc(=O)c2c(o1)c(OC)c(c(c2O)OC)OC

InChI:
InChI=1S/C24H26O13/c1-31-13-7-9(5-6-11(13)36-24-18(29)16(27)17(28)23(30)37-24)12-8-10(25)14-15(26)20(32-2)22(34-4)21(33-3)19(14)35-12/h5-8,16-18,23-24,26-30H,1-4H3/t16?,17-,18?,23+,24-/m1/s1

InChIKey:
BBHKQHVCDAATJD-ODQLMNOUSA-N

DeepSMILES:
COcccccc6O[C@@H]O[C@H]O)[C@@H]CC6O))O))O)))))))))ccc=O)cco6)cOC))ccc6O))OC)))OC

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc(-c2ccc(OC3CCCCO3)cc2)oc2ccccc12

Scaffold Graph/Node level:
OC1CC(C2CCC(OC3CCCCO3)CC2)OC2CCCCC12

Scaffold Graph level:
CC1CC(C2CCC(CC3CCCCC3)CC2)CC2CCCCC12

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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: 1.675

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Chemical structure download