Summary

IMPPAT Phytochemical identifier: IMPHY014119

Phytochemical name: 2,4-Dihydroxychalcone

Synonymous chemical names:
2',4'-dihydroxychalcone

External chemical identifiers:
CID:6433293, ChEMBL:CHEMBL373249, ChEBI:174241, SureChEMBL:SCHEMBL3995353

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Chemical structure information

SMILES:
Oc1ccc(c(c1)O)/C=C/C(=O)c1ccccc1

InChI:
InChI=1S/C15H12O3/c16-13-8-6-12(15(18)10-13)7-9-14(17)11-4-2-1-3-5-11/h1-10,16,18H/b9-7+

InChIKey:
LKNPFZQVNZFLIC-VQHVLOKHSA-N

DeepSMILES:
Occcccc6)O))/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: 0.477

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Chemical structure download