Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID016436

Phytochemical name: Beta-hydroxychalcone

Synonymous chemical names:
beta-hydroxychalcone, beta hydroxychalcone

External chemical identifiers:
CID:CID_6022229, ChEMBL:CHEMBL1451434, ZINC:ZINC000100069442, SureChEMBL:SCHEMBL4276129, Molport-001-762-422

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Chemical structure information

SMILES:
O/C(=C\C(=O)c1ccccc1O)/c1ccccc1

InChI:
InChI=1S/C15H12O3/c16-13-9-5-4-8-12(13)15(18)10-14(17)11-6-2-1-3-7-11/h1-10,16-17H/b14-10-

InChIKey:
AOJIJXJCNKMEET-UVTDQMKNSA-N

DeepSMILES:
O/C=C\C=O)cccccc6O)))))))))/cccccc6

Functional groups:
cC(=O)/C=C(/c)O, cO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(C=Cc1ccccc1)c1ccccc1

Scaffold Graph/Node level:
OC(CCC1CCCCC1)C1CCCCC1

Scaffold Graph level:
CC(CCC1CCCCC1)C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Linear 1,3-diarylpropanoids

ClassyFire Subclass: Chalcones and dihydrochalcones

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Chalcones

NP-Likeness score: 0.322

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Chemical structure download