Summary

IMPPAT Phytochemical identifier: IMPHY007543

Phytochemical name: Acuminoside

Synonymous chemical names:
acuminoside

External chemical identifiers:
CID:131750855, ChEBI:168502

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Chemical structure information

SMILES:
OCC1(O)COC(C1O)OCC1OC(OC/C=C(CCC=C(C)C)/C)C(C(C1O)O)O

InChI:
InChI=1S/C21H36O10/c1-12(2)5-4-6-13(3)7-8-28-19-17(25)16(24)15(23)14(31-19)9-29-20-18(26)21(27,10-22)11-30-20/h5,7,14-20,22-27H,4,6,8-11H2,1-3H3/b13-7-

InChIKey:
RFFYIBOJHUSIGD-QPEQYQDCSA-N

DeepSMILES:
OCCO)COCC5O))OCCOCOC/C=CCCC=CC)C)))))/C)))))CCC6O))O))O

Functional groups:
C/C=C(C)C, CC=C(C)C, CO, COC(C)OC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC(COC2CCCO2)OC1

Scaffold Graph/Node level:
C1CCC(COC2CCCO2)OC1

Scaffold Graph level:
C1CCC(CCC2CCCC2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Terpene glycosides

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 2.811

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Chemical structure download