Summary

IMPPAT Phytochemical identifier: IMPHY001458

Phytochemical name: 5-Hydroxy-3,7,8,2'-tetramethoxyflavone

Synonymous chemical names:
5-hydroxy-3,7,8,2'-tetramethoxyflavone

External chemical identifiers:
CID:14887327, ZINC:ZINC000014644305, SureChEMBL:SCHEMBL6070136

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Chemical structure information

SMILES:
COc1ccccc1c1oc2c(OC)c(OC)cc(c2c(=O)c1OC)O

InChI:
InChI=1S/C19H18O7/c1-22-12-8-6-5-7-10(12)16-19(25-4)15(21)14-11(20)9-13(23-2)17(24-3)18(14)26-16/h5-9,20H,1-4H3

InChIKey:
NDPLDNPWMUMQNB-UHFFFAOYSA-N

DeepSMILES:
COcccccc6coccOC))cOC))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: 1.118

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Chemical structure download