Summary

IMPPAT Phytochemical identifier: IMPHY007499

Phytochemical name: Licochalcone B

Synonymous chemical names:
licochalcone b

External chemical identifiers:
CID:5318999, ChEMBL:CHEMBL2437372, ChEBI:174733, ZINC:ZINC000006483435, FDASRS:G7383L14F6, SureChEMBL:SCHEMBL633001, MolPort-005-945-511

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Chemical structure information

SMILES:
COc1c(/C=C/C(=O)c2ccc(cc2)O)ccc(c1O)O

InChI:
InChI=1S/C16H14O5/c1-21-16-11(5-9-14(19)15(16)20)4-8-13(18)10-2-6-12(17)7-3-10/h2-9,17,19-20H,1H3/b8-4+

InChIKey:
DRDRYGIIYOPBBZ-XBXARRHUSA-N

DeepSMILES:
COcc/C=C/C=O)cccccc6))O))))))))cccc6O))O

Functional groups:
c/C=C/C(c)=O, cO, cOC

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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: 0.829

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Chemical structure download