Summary

IMPPAT Phytochemical identifier: IMPHY010073

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

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

External chemical identifiers:
CID:5379563, ChEMBL:CHEMBL3407748

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Chemical structure information

SMILES:
COc1cc(ccc1OC)c1oc2cc(O)c(c(c2c(=O)c1OC)O)OC

InChI:
InChI=1S/C19H18O8/c1-23-11-6-5-9(7-12(11)24-2)17-19(26-4)16(22)14-13(27-17)8-10(20)18(25-3)15(14)21/h5-8,20-21H,1-4H3

InChIKey:
SDTFURCSGWUESP-UHFFFAOYSA-N

DeepSMILES:
COcccccc6OC)))))cocccO)ccc6c=O)c%10OC)))))O))OC

Functional groups:
c=O, cO, cOC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc(-c2ccccc2)oc2ccccc12

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2CCCCC12

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: O-methylated flavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavonols

NP-Likeness score: 1.217

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Chemical structure download