Summary

IMPPAT Phytochemical identifier: IMPHY009257

Phytochemical name: Parkinsonin B

Synonymous chemical names:
parkinsonin b

External chemical identifiers:
CID:44258398

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Chemical structure information

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

InChI:
InChI=1S/C23H24O11/c1-31-14-7-15(32-2)18(23-21(30)20(29)19(28)16(8-24)34-23)22-17(14)12(27)6-13(33-22)9-3-4-10(25)11(26)5-9/h3-7,16,19-21,23-26,28-30H,8H2,1-2H3/t16?,19-,20+,21?,23+/m1/s1

InChIKey:
DJWKORMQTKXUAX-FROFXIEOSA-N

DeepSMILES:
OCCO[C@H]C[C@H][C@@H]6O))O))O))ccOC))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: 1.814

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Chemical structure download