Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID016490

Phytochemical name: 7,8-Dimethoxyflavanone

Synonymous chemical names:
Flavanone,7,8-dimethoxy, 7,8-dimethoxyflavanone

External chemical identifiers:
CID:CID_15458308

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Chemical structure information

SMILES:
COc1ccc2c(c1OC)OC(CC2=O)c1ccccc1

InChI:
InChI=1S/C17H16O4/c1-19-14-9-8-12-13(18)10-15(11-6-4-3-5-7-11)21-16(12)17(14)20-2/h3-9,15H,10H2,1-2H3

InChIKey:
FBVLIZHTSCLZRG-UHFFFAOYSA-N

DeepSMILES:
COcccccc6OC)))OCCC6=O)))cccccc6

Functional groups:
cOC, cC(=O)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC(c2ccccc2)Oc2ccccc21

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: Flavanones

NP-Likeness score: 1.117

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Chemical structure download