Summary

IMPPAT Phytochemical identifier: IMPHY006489

Phytochemical name: Isoliquiritigenin

Synonymous chemical names:
4,2',4'-trihydroxy-chalcone, 424-trihydroxychalcone, isoliquiritigenin, isoliquiritigenin (2-,4 ',4-trihydroxychalcone), isoliquirtigenin, liquiritigenin iso

External chemical identifiers:
CID:638278, ChEMBL:CHEMBL129795, ChEBI:310312, ZINC:ZINC000003869608, FDASRS:B9CTI9GB8F, SureChEMBL:SCHEMBL161168, MolPort-001-741-660

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Chemical structure information

SMILES:
Oc1ccc(cc1)/C=C/C(=O)c1ccc(cc1O)O

InChI:
InChI=1S/C15H12O4/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-9,16-17,19H/b8-3+

InChIKey:
DXDRHHKMWQZJHT-FPYGCLRLSA-N

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

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: 0.7

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Chemical structure download