Summary

IMPPAT Phytochemical identifier: IMPHY013535

Phytochemical name: Perilloside C

Synonymous chemical names:
perilloside c

External chemical identifiers:
CID:73815070, ChEBI:172108

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Chemical structure information

SMILES:
OCC1OC(OCC2CCC(CC2)C(=C)C)C(C(C1O)O)O

InChI:
InChI=1S/C16H28O6/c1-9(2)11-5-3-10(4-6-11)8-21-16-15(20)14(19)13(18)12(7-17)22-16/h10-20H,1,3-8H2,2H3

InChIKey:
MONAHUOUARCHLM-UHFFFAOYSA-N

DeepSMILES:
OCCOCOCCCCCCC6))C=C)C))))))))CCC6O))O))O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC(COC2CCCCO2)CC1

Scaffold Graph/Node level:
C1CCC(COC2CCCCO2)CC1

Scaffold Graph level:
C1CCC(CCC2CCCCC2)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: Menthane monoterpenoids

NP-Likeness score: 1.851

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Chemical structure download