Summary

IMPPAT Phytochemical identifier: IMPHY011551

Phytochemical name: Volkensiflavone

Synonymous chemical names:
talbotaflavone, volkensiflavone, volkensiflavone(talbataflavone)

External chemical identifiers:
CID:5480834, ZINC:ZINC000026183769

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Chemical structure information

SMILES:
Oc1ccc(cc1)[C@H]1Oc2cc(O)cc(c2C(=O)[C@@H]1c1c(O)cc(c2c1oc(cc2=O)c1ccc(cc1)O)O)O

InChI:
InChI=1S/C30H20O10/c31-15-5-1-13(2-6-15)22-12-21(37)24-19(35)11-20(36)26(30(24)39-22)27-28(38)25-18(34)9-17(33)10-23(25)40-29(27)14-3-7-16(32)8-4-14/h1-12,27,29,31-36H/t27-,29+/m0/s1

InChIKey:
YOGANETYFUQWIM-LMSSTIIKSA-N

DeepSMILES:
Occcccc6))[C@H]OcccO)ccc6C=O)[C@@H]%10ccO)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=C1c2ccccc2OC(c2ccccc2)C1c1cccc2c(=O)cc(-c3ccccc3)oc12

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2C1CCCC2C1C(O)C2CCCCC2OC1C1CCCCC1

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2C1CCCC2C1C(C)C2CCCCC2CC1C1CCCCC1

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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: 1.682

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Chemical structure download