Summary

IMPPAT Phytochemical identifier: IMPHY006846

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

Synonymous chemical names:
eupatorin-5-methylether, flavone, 3'-hydroxy-5,6,7.4'-tetramethoxy

External chemical identifiers:
CID:7020615, ChEMBL:CHEMBL124885, ZINC:ZINC000002566088, SureChEMBL:SCHEMBL1764630, MolPort-009-753-911

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Chemical structure information

SMILES:
COc1cc2oc(cc(=O)c2c(c1OC)OC)c1ccc(c(c1)O)OC

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

InChIKey:
LYLDPYNWDVVPIQ-UHFFFAOYSA-N

DeepSMILES:
COcccoccc=O)c6cc%10OC)))OC))))))cccccc6)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: Flavones

NP-Likeness score: 1.081

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Chemical structure download