Summary

IMPPAT Phytochemical identifier: IMPHY012836

Phytochemical name: 2',4'-Dihydroxychalcone

Synonymous chemical names:
2',4'-di-oh-chalcone

External chemical identifiers:
CID:5376979, ChEMBL:CHEMBL105310, ZINC:ZINC000004252553, SureChEMBL:SCHEMBL127341, MolPort-004-959-855

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Chemical structure information

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

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

InChIKey:
JUMSUVHHUVPSOY-RMKNXTFCSA-N

DeepSMILES:
Occcccc6)O))C=O)/C=C/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: 0.606

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Chemical structure download