Summary

IMPPAT Phytochemical identifier: IMPHY004395

Phytochemical name: Licoflavone A

Synonymous chemical names:
licoflavone a

External chemical identifiers:
CID:5319000, ChEMBL:CHEMBL506929, ZINC:ZINC000015115129, MolPort-042-675-381

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Chemical structure information

SMILES:
CC(=CCc1cc2c(=O)cc(oc2cc1O)c1ccc(cc1)O)C

InChI:
InChI=1S/C20H18O4/c1-12(2)3-4-14-9-16-18(23)11-19(24-20(16)10-17(14)22)13-5-7-15(21)8-6-13/h3,5-11,21-22H,4H2,1-2H3

InChIKey:
HJGURBGBPIKRER-UHFFFAOYSA-N

DeepSMILES:
CC=CCcccc=O)ccoc6cc%10O)))))cccccc6))O)))))))))))))C

Functional groups:
CC=C(C)C, c=O, cO, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc(-c2ccccc2)oc2ccccc12

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: Flavones

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavones

NP-Likeness score: 1.482

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Chemical structure download