Summary

IMPPAT Phytochemical identifier: IMPHY010832

Phytochemical name: Rhusflavone

Synonymous chemical names:
biapigenin, rhusflavanone

External chemical identifiers:
CID:12114300, ZINC:ZINC000026256601

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Chemical structure information

SMILES:
Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O1)cc(c(c2O)c1c(O)cc(c2c1O[C@@H](CC2=O)c1ccc(cc1)O)O)O

InChI:
InChI=1S/C30H22O10/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/h1-9,12,22-23,31-34,37-38H,10-11H2/t22-,23-/m0/s1

InChIKey:
YBDIZQWDBBOOFB-GOTSBHOMSA-N

DeepSMILES:
Occcccc6))[C@@H]CC=O)ccO6)cccc6O))ccO)cccc6O[C@@H]CC6=O)))cccccc6))O)))))))))O))))))O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC(c2ccccc2)Oc2ccc(-c3cccc4c3OC(c3ccccc3)CC4=O)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

NP-Likeness score: 1.362

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Chemical structure download