Summary

IMPPAT Phytochemical identifier: IMPHY015793

Phytochemical name: Licoflavanone

Synonymous chemical names:
licoflavanone

External chemical identifiers:
CID:14218027, ChEMBL:CHEMBL457680, ChEBI:174568, SureChEMBL:SCHEMBL3364539

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Chemical structure information

SMILES:
CC(=CCc1cc(ccc1O)C1CC(=O)c2c(O1)cc(cc2O)O)C

InChI:
InChI=1S/C20H20O5/c1-11(2)3-4-12-7-13(5-6-15(12)22)18-10-17(24)20-16(23)8-14(21)9-19(20)25-18/h3,5-9,18,21-23H,4,10H2,1-2H3

InChIKey:
CGKWSLSAYABZTL-UHFFFAOYSA-N

DeepSMILES:
CC=CCcccccc6O))))CCC=O)ccO6)cccc6O)))O)))))))))))))C

Functional groups:
CC=C(C)C, cC(C)=O, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC(c2ccccc2)Oc2ccccc21

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2CCCCC12

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: Flavans

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Isoflavonoids, Flavonoids

NP Classifier Class: Flavanones, Isoflavanones

NP-Likeness score: 2.175

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Chemical structure download