Summary

IMPPAT Phytochemical identifier: IMPHY008165

Phytochemical name: Ovalitenone

Synonymous chemical names:
glabra i, glabra-i, ovalitenone

External chemical identifiers:
CID:627910, ChEBI:175301, ZINC:ZINC000100773889

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Chemical structure information

SMILES:
COc1c(ccc2c1cco2)C(=O)CC(=O)c1ccc2c(c1)OCO2

InChI:
InChI=1S/C19H14O6/c1-22-19-12(3-5-16-13(19)6-7-23-16)15(21)9-14(20)11-2-4-17-18(8-11)25-10-24-17/h2-8H,9-10H2,1H3

InChIKey:
SDJBCBKWKASUCJ-UHFFFAOYSA-N

DeepSMILES:
COcccccc6cco5)))))))C=O)CC=O)cccccc6)OCO5

Functional groups:
c1cOCO1, cC(C)=O, cOC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(CC(=O)c1ccc2occc2c1)c1ccc2c(c1)OCO2

Scaffold Graph/Node level:
OC(CC(O)C1CCC2OCOC2C1)C1CCC2OCCC2C1

Scaffold Graph level:
CC(CC(C)C1CCC2CCCC2C1)C1CCC2CCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Linear 1,3-diarylpropanoids

ClassyFire Subclass: Chalcones and dihydrochalcones

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Chalcones

NP-Likeness score: 0.427

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Chemical structure download