Summary

IMPPAT Phytochemical identifier: IMPHY007452

Phytochemical name: Linderoflavone B

Synonymous chemical names:
5,6,7,8-tetramethoxy-3',4'-methylenedioxyflavone(linderoflavone b), linderoflavone b, lucidin dimethyl ether

External chemical identifiers:
CID:97151, ChEMBL:CHEMBL483213, ZINC:ZINC000001674701, FDASRS:LYH4AL5LI7

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Chemical structure information

SMILES:
COc1c(OC)c2oc(cc(=O)c2c(c1OC)OC)c1ccc2c(c1)OCO2

InChI:
InChI=1S/C20H18O8/c1-22-16-15-11(21)8-13(10-5-6-12-14(7-10)27-9-26-12)28-17(15)19(24-3)20(25-4)18(16)23-2/h5-8H,9H2,1-4H3

InChIKey:
LKUJKDQDJLCGCT-UHFFFAOYSA-N

DeepSMILES:
COccOC))coccc=O)c6cc%10OC)))OC))))))cccccc6)OCO5

Functional groups:
c1cOCO1, c=O, cOC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc(-c2ccc3c(c2)OCO3)oc2ccccc12

Scaffold Graph/Node level:
OC1CC(C2CCC3OCOC3C2)OC2CCCCC12

Scaffold Graph level:
CC1CC(C2CCC3CCCC3C2)CC2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: O-methylated flavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavones

NP-Likeness score: 0.931

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Chemical structure download