Summary

IMPPAT Phytochemical identifier: IMPHY008266

Phytochemical name: Heteroflavanone A

Synonymous chemical names:
heteroflavanone a

External chemical identifiers:
CID:42608055, ChEBI:175619

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Chemical structure information

SMILES:
COc1cc(OC)c(c(c1)OC)C1CC(=O)c2c(O1)cc(cc2O)OC

InChI:
InChI=1S/C19H20O7/c1-22-10-5-12(20)18-13(21)9-17(26-16(18)8-10)19-14(24-3)6-11(23-2)7-15(19)25-4/h5-8,17,20H,9H2,1-4H3

InChIKey:
JEXUYOSYJIRTIF-UHFFFAOYSA-N

DeepSMILES:
COcccOC))ccc6)OC)))CCC=O)ccO6)cccc6O)))OC

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: 1.293

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Chemical structure download