Summary

IMPPAT Phytochemical identifier: IMPHY009267

Phytochemical name: 8-D-Glucopyranosyl-7,3',4'-trihydroxy-5-methoxyflavone

Synonymous chemical names:
parkinsonin a

External chemical identifiers:
CID:44258308

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Chemical structure information

SMILES:
OCC1O[C@H](C([C@H]([C@@H]1O)O)O)c1c(O)cc(c2c1oc(cc2=O)c1ccc(c(c1)O)O)OC

InChI:
InChI=1S/C22H22O11/c1-31-14-6-12(27)17(22-20(30)19(29)18(28)15(7-23)33-22)21-16(14)11(26)5-13(32-21)8-2-3-9(24)10(25)4-8/h2-6,15,18-20,22-25,27-30H,7H2,1H3/t15?,18-,19+,20?,22+/m1/s1

InChIKey:
CEZSSSKWSMJSKP-OEMYLOCWSA-N

DeepSMILES:
OCCO[C@H]C[C@H][C@@H]6O))O))O))ccO)cccc6occc6=O)))cccccc6)O))O)))))))))OC

Functional groups:
CO, COC, c=O, cO, cOC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc(-c2ccccc2)oc2c(C3CCCCO3)cccc12

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2C1CCCC2C1CCCCO1

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2C1CCCC2C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: Flavonoid glycosides

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavones

NP-Likeness score: 1.945

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Chemical structure download