Summary

IMPPAT Phytochemical identifier: IMPHY012512

Phytochemical name: Oleaside A

Synonymous chemical names:
oleaside a

External chemical identifiers:
CID:434211, ChEMBL:CHEMBL1966393

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Chemical structure information

SMILES:
COC1CC(OC2CCC3(C(C2)CCC24C3CCC(C4=O)(C)C(CC2)C2=CC(=O)OC2)C)OC(C1O)C

InChI:
InChI=1S/C30H44O7/c1-17-26(32)22(34-4)15-25(36-17)37-20-6-9-28(2)19(14-20)5-11-30-12-7-21(18-13-24(31)35-16-18)29(3,27(30)33)10-8-23(28)30/h13,17,19-23,25-26,32H,5-12,14-16H2,1-4H3

InChIKey:
DFDVWAJDFYYBAC-UHFFFAOYSA-N

DeepSMILES:
COCCCOCCCCCC6)CCCC6CCCC6=O))C)CCC8))C=CC=O)OC5))))))))))))))C))))))OCC6O))C

Functional groups:
CC(C)=O, CC1=CC(=O)OC1, CO, COC, COC(C)OC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=C(C2CCC34CCC5CC(OC6CCCCO6)CCC5C3CCC2C4=O)CO1

Scaffold Graph/Node level:
OC1CC(C2CCC34CCC5CC(OC6CCCCO6)CCC5C3CCC2C4O)CO1

Scaffold Graph level:
CC1CCC(C2CCC34CCC5CC(CC6CCCCC6)CCC5C3CCC2C4C)C1

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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: Steroids

NP Classifier Class: Cardenolides

NP-Likeness score: 3.013

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Chemical structure download