Summary

IMPPAT Phytochemical identifier: IMPHY012659

Phytochemical name: 7,2',4'-Trimethoxyflavone

Synonymous chemical names:
7,2',4'-trimethoxyflavone

External chemical identifiers:
CID:688837, ZINC:ZINC000000057884, SureChEMBL:SCHEMBL3691018, MolPort-004-955-305

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Chemical structure information

SMILES:
COc1ccc(c(c1)OC)c1cc(=O)c2c(o1)cc(cc2)OC

InChI:
InChI=1S/C18H16O5/c1-20-11-5-7-14(16(8-11)22-3)18-10-15(19)13-6-4-12(21-2)9-17(13)23-18/h4-10H,1-3H3

InChIKey:
YPQZGQIOLDZFBE-UHFFFAOYSA-N

DeepSMILES:
COcccccc6)OC)))ccc=O)cco6)cccc6))OC

Functional groups:
c=O, 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: 0.386

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Chemical structure download