Summary

IMPPAT Phytochemical identifier: IMPHY012952

Phytochemical name: Pinocembrin chalcone

Synonymous chemical names:
pinocembrin chalcone

External chemical identifiers:
CID:6474295, ChEMBL:CHEMBL129371, ChEBI:80484, ZINC:ZINC000004175443, SureChEMBL:SCHEMBL675431, MolPort-020-172-688

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Chemical structure information

SMILES:
Oc1cc(O)c(c(c1)O)C(=O)/C=C/c1ccccc1

InChI:
InChI=1S/C15H12O4/c16-11-8-13(18)15(14(19)9-11)12(17)7-6-10-4-2-1-3-5-10/h1-9,16,18-19H/b7-6+

InChIKey:
LOYXTWZXLWHMBX-VOTSOKGWSA-N

DeepSMILES:
OcccO)ccc6)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: 0.749

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Chemical structure download