Summary

IMPPAT Phytochemical identifier: IMPHY000237

Phytochemical name: Vogeloside

Synonymous chemical names:
vogeloside, vogeloside +

External chemical identifiers:
CID:101939796

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Chemical structure information

SMILES:
C=CC1C(OC=C2C1CC(OC)OC2=O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O

InChI:
InChI=1S/C17H24O10/c1-3-7-8-4-11(23-2)26-15(22)9(8)6-24-16(7)27-17-14(21)13(20)12(19)10(5-18)25-17/h3,6-8,10-14,16-21H,1,4-5H2,2H3/t7?,8?,10-,11?,12-,13+,14-,16?,17+/m1/s1

InChIKey:
RAYZRCGMIDUTKS-CMVXZMDTSA-N

DeepSMILES:
C=CCCOC=CC6CCOC))OC6=O)))))))))O[C@@H]O[C@H]CO))[C@H][C@@H][C@H]6O))O))O

Functional groups:
C=CC, CO, COC1CC2CC(O[C@@H](C)OC)OC=C2C(=O)O1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1OCCC2CC(OC3CCCCO3)OC=C12

Scaffold Graph/Node level:
OC1OCCC2CC(OC3CCCCO3)OCC21

Scaffold Graph level:
CC1CCCC2CC(CC3CCCCC3)CCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbohydrates and carbohydrate conjugates

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Secoiridoid monoterpenoids

NP-Likeness score: 3.285

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Chemical structure download