Summary

IMPPAT Phytochemical identifier: IMPHY013207

Phytochemical name: 2',5,6-Trimethoxyflavone

Synonymous chemical names:
2',5,6,-trimethoxyflavone

External chemical identifiers:
CID:14484690, ChEBI:174991, ZINC:ZINC000014807241, SureChEMBL:SCHEMBL4737927, MolPort-005-945-453

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Chemical structure information

SMILES:
COc1ccccc1c1cc(=O)c2c(o1)ccc(c2OC)OC

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

InChIKey:
IQWXFMQSQNSHKI-UHFFFAOYSA-N

DeepSMILES:
COcccccc6ccc=O)cco6)cccc6OC)))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: 0.639

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Chemical structure download