Summary

IMPPAT Phytochemical identifier: IMPHY003431

Phytochemical name: Cerasinone

Synonymous chemical names:
cerasinone

External chemical identifiers:
CID:42608054, ChEBI:175210

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Chemical structure information

SMILES:
COc1ccc(c(c1)OC)C1CC(=O)c2c(O1)cc(cc2OC)O

InChI:
InChI=1S/C18H18O6/c1-21-11-4-5-12(14(8-11)22-2)15-9-13(20)18-16(23-3)6-10(19)7-17(18)24-15/h4-8,15,19H,9H2,1-3H3

InChIKey:
JVUGHKAZGNYYCA-UHFFFAOYSA-N

DeepSMILES:
COcccccc6)OC)))CCC=O)ccO6)cccc6OC))))O

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: 1.449

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Chemical structure download