Summary

IMPPAT Phytochemical identifier: IMPHY000501

Phytochemical name: (.+-.)-5,2'-Dihydroxy-6,7,6'-trimethoxyflavonone

Synonymous chemical names:
(.+-.)-5,2'-dihydroxy-6,7,6'-trimethoxyflavonone

Chemical structure information

SMILES:
COc1cc2OC(CC(=O)c2c(c1OC)O)c1c(O)cccc1OC

InChI:
InChI=1S/C18H18O7/c1-22-11-6-4-5-9(19)15(11)12-7-10(20)16-13(25-12)8-14(23-2)18(24-3)17(16)21/h4-6,8,12,19,21H,7H2,1-3H3

InChIKey:
WPODUALBMMDCED-UHFFFAOYSA-N

DeepSMILES:
COcccOCCC=O)c6cc%10OC)))O)))))ccO)cccc6OC

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: O-methylated flavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavanones

NP-Likeness score: 1.506

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Chemical structure download