Summary

IMPPAT Phytochemical identifier: IMPHY007892

Phytochemical name: (S)-5,7-Dihydroxy-6,8-dimethylflavanone

Synonymous chemical names:
desmethoxymatteucinol

External chemical identifiers:
CID:625031, ChEBI:172517, SureChEMBL:SCHEMBL664144

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Chemical structure information

SMILES:
Cc1c2OC(CC(=O)c2c(c(c1O)C)O)c1ccccc1

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

InChIKey:
HAIHGFWQOPJMPV-UHFFFAOYSA-N

DeepSMILES:
CccOCCC=O)c6ccc%10O))C))O)))))cccccc6

Functional groups:
cC(C)=O, cO, cOC

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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: Flavans

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavanones

NP-Likeness score: 1.743

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Chemical structure download