Summary

IMPPAT Phytochemical identifier: IMPHY001796

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

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

External chemical identifiers:
CID:11417464, ChEMBL:CHEMBL189626, ChEBI:146139, ZINC:ZINC000014436790, MolPort-003-804-008

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Chemical structure information

SMILES:
COc1c(OC)cc(cc1OC)c1oc2cc(O)cc(c2c(=O)c1OC)O

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

InChIKey:
YSXLGTWJLNLXKQ-UHFFFAOYSA-N

DeepSMILES:
COccOC))cccc6OC))))cocccO)ccc6c=O)c%10OC)))))O

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: 1.246

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Chemical structure download