Summary

IMPPAT Phytochemical identifier: IMPHY011492

Phytochemical name: (2S)-7-hydroxyflavanone

Synonymous chemical names:
(2s)-7-hydroxyflavanone, 7-hydroxyflavanone, flavanone,(2s)-,7-hydroxy

External chemical identifiers:
CID:688857, ChEMBL:CHEMBL402744, ChEBI:41888, ZINC:ZINC000000057920, FDASRS:MF98742K2H, SureChEMBL:SCHEMBL1072683

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Chemical structure information

SMILES:
Oc1ccc2c(c1)O[C@@H](CC2=O)c1ccccc1

InChI:
InChI=1S/C15H12O3/c16-11-6-7-12-13(17)9-14(18-15(12)8-11)10-4-2-1-3-5-10/h1-8,14,16H,9H2/t14-/m0/s1

InChIKey:
SWAJPHCXKPCPQZ-AWEZNQCLSA-N

DeepSMILES:
Occcccc6)O[C@@H]CC6=O)))cccccc6

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: 1.293

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Chemical structure download