Summary

IMPPAT Phytochemical identifier: IMPHY013022

Phytochemical name: 2',6'-Dihydroxychalcone

Synonymous chemical names:
2',6'-dihydroxychalcones

External chemical identifiers:
CID:10752529, ChEMBL:CHEMBL244456, ZINC:ZINC000028713579, SureChEMBL:SCHEMBL17975260

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Chemical structure information

SMILES:
O=C(c1c(O)cccc1O)/C=C/c1ccccc1

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

InChIKey:
FLGLUUFICRDIJE-MDZDMXLPSA-N

DeepSMILES:
O=CccO)cccc6O)))))))/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: 0.492

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Chemical structure download