Summary

IMPPAT Phytochemical identifier: IMPHY012656

Phytochemical name: 2,2'-Dihydroxychalcone

Synonymous chemical names:
2,2'-dihydroxychalcone

External chemical identifiers:
CID:638277, ChEMBL:CHEMBL150755, ZINC:ZINC000004159316, SureChEMBL:SCHEMBL130475, MolPort-000-653-503

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Chemical structure information

SMILES:
Oc1ccccc1/C=C/C(=O)c1ccccc1O

InChI:
InChI=1S/C15H12O3/c16-13-7-3-1-5-11(13)9-10-15(18)12-6-2-4-8-14(12)17/h1-10,16-17H/b10-9+

InChIKey:
KSHCTKZLHCSARH-MDZDMXLPSA-N

DeepSMILES:
Occcccc6/C=C/C=O)cccccc6O

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: 0.266

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Chemical structure download