Summary

IMPPAT Phytochemical identifier: IMPHY007465

Phytochemical name: Licochalcone C

Synonymous chemical names:
licochalcone c

External chemical identifiers:
CID:9840805, ChEMBL:CHEMBL141207, ZINC:ZINC000014819151, FDASRS:P1H7W3812O, SureChEMBL:SCHEMBL7194029, MolPort-027-720-882

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Chemical structure information

SMILES:
COc1c(/C=C/C(=O)c2ccc(cc2)O)ccc(c1CC=C(C)C)O

InChI:
InChI=1S/C21H22O4/c1-14(2)4-11-18-20(24)13-8-16(21(18)25-3)7-12-19(23)15-5-9-17(22)10-6-15/h4-10,12-13,22,24H,11H2,1-3H3/b12-7+

InChIKey:
WBDNTJSRHDSPSR-KPKJPENVSA-N

DeepSMILES:
COcc/C=C/C=O)cccccc6))O))))))))cccc6CC=CC)C)))))O

Functional groups:
CC=C(C)C, 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: 1.188

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Chemical structure download