Summary

IMPPAT Phytochemical identifier: IMPHY010661

Phytochemical name: Rhusflavone

Synonymous chemical names:
rhusflavone

Chemical structure information

SMILES:
Oc1ccc(cc1)C1CC(=O)c2c(O1)cc(c(c2O)c1c(O)cc(c2c1oc(cc2=O)c1ccc(cc1)O)O)O

InChI:
InChI=1S/C30H20O10/c31-15-5-1-13(2-6-15)22-11-20(36)26-24(39-22)12-21(37)27(29(26)38)28-18(34)9-17(33)25-19(35)10-23(40-30(25)28)14-3-7-16(32)8-4-14/h1-10,12,22,31-34,37-38H,11H2

InChIKey:
VTMYAMANLDGIMR-UHFFFAOYSA-N

DeepSMILES:
Occcccc6))CCC=O)ccO6)cccc6O))ccO)cccc6occc6=O)))cccccc6))O)))))))))O))))))O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC(c2ccccc2)Oc2ccc(-c3cccc4c(=O)cc(-c5ccccc5)oc34)cc21

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2CCC(C3CCCC4C(O)CC(C5CCCCC5)OC43)CC12

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2CCC(C3CCCC4C(C)CC(C5CCCCC5)CC43)CC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: Biflavonoids and polyflavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavanones, Flavones

NP-Likeness score: 1.56

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Chemical structure download