Summary

IMPPAT Phytochemical identifier: IMPHY000013

Phytochemical name: Licoflavone B

Synonymous chemical names:
licoflavone a, prenyl, licoflavone b, prenyllicoflavone a, prenyllicoflavone a(bisprenyflavone)

External chemical identifiers:
CID:11349817, ChEMBL:CHEMBL3125437, ZINC:ZINC000013485410, MolPort-042-675-382

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Chemical structure information

SMILES:
CC(=CCc1cc2c(=O)cc(oc2cc1O)c1ccc(c(c1)CC=C(C)C)O)C

InChI:
InChI=1S/C25H26O4/c1-15(2)5-7-17-11-19(9-10-21(17)26)24-14-23(28)20-12-18(8-6-16(3)4)22(27)13-25(20)29-24/h5-6,9-14,26-27H,7-8H2,1-4H3

InChIKey:
GLDVIKFETPAZNV-UHFFFAOYSA-N

DeepSMILES:
CC=CCcccc=O)ccoc6cc%10O)))))cccccc6)CC=CC)C)))))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: 1.231

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Chemical structure download