Summary

IMPPAT Phytochemical identifier: IMPHY008784

Phytochemical name: 5,7,2',5'-Tetrahydroxyflavanone

Synonymous chemical names:
flavanone,5,7,2' 5'-tetrahydroxy

External chemical identifiers:
CID:25073757

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Chemical structure information

SMILES:
Oc1ccc(c(c1)C1CC(=O)c2c(O1)cc(cc2O)O)O

InChI:
InChI=1S/C15H12O6/c16-7-1-2-10(18)9(3-7)13-6-12(20)15-11(19)4-8(17)5-14(15)21-13/h1-5,13,16-19H,6H2

InChIKey:
XVXXIRQXOYAJAF-UHFFFAOYSA-N

DeepSMILES:
Occcccc6)CCC=O)ccO6)cccc6O)))O)))))))))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: Flavans

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavanones

NP-Likeness score: 2.04

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Chemical structure download