Summary

IMPPAT Phytochemical identifier: IMPHY002568

Phytochemical name: 2,3-Dihydroflavon-3-ol

Synonymous chemical names:
dihydroflavonol

External chemical identifiers:
CID:147806, ChEBI:48040, SureChEMBL:SCHEMBL130234, MolPort-000-447-968

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Chemical structure information

SMILES:
OC1C(Oc2c(C1=O)cccc2)c1ccccc1

InChI:
InChI=1S/C15H12O3/c16-13-11-8-4-5-9-12(11)18-15(14(13)17)10-6-2-1-3-7-10/h1-9,14-15,17H

InChIKey:
YEDFEBOUHSBQBT-UHFFFAOYSA-N

DeepSMILES:
OCCOccC6=O))cccc6)))))))cccccc6

Functional groups:
CO, cC(C)=O, 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: Dihydroflavonols

NP-Likeness score: 1.36

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Chemical structure download