Summary

IMPPAT Phytochemical identifier: IMPHY005574

Phytochemical name: 4-Hydroxychalcone

Synonymous chemical names:
4-hydroxy chalcone, 4-hydroxychalcone, chalcone, 4-hydroxy

External chemical identifiers:
CID:5282361, ChEMBL:CHEMBL7747, ChEBI:34423, ZINC:ZINC000004090723, FDASRS:JO97Q47VBU, SureChEMBL:SCHEMBL1375837, MolPort-000-243-047

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Chemical structure information

SMILES:
Oc1ccc(cc1)/C=C/C(=O)c1ccccc1

InChI:
InChI=1S/C15H12O2/c16-14-9-6-12(7-10-14)8-11-15(17)13-4-2-1-3-5-13/h1-11,16H/b11-8+

InChIKey:
PWWCDTYUYPOAIU-DHZHZOJOSA-N

DeepSMILES:
Occcccc6))/C=C/C=O)cccccc6

Functional groups:
c/C=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: 0.273

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Chemical structure download