Summary

IMPPAT Phytochemical identifier: IMPHY006329

Phytochemical name: beta-Hydroxychalcone

Synonymous chemical names:
beta hydroxychalcone

External chemical identifiers:
CID:6101979, ZINC:ZINC000100744522, SureChEMBL:SCHEMBL6426228

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Chemical structure information

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

InChI:
InChI=1S/C15H12O2/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13/h1-11,16H/b14-11+

InChIKey:
RZCYUOWKJNUVBF-SDNWHVSQSA-N

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

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

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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: 0.148

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Chemical structure download