Summary

IMPPAT Phytochemical identifier: IMPHY009009

Phytochemical name: Perilloside A

Synonymous chemical names:
perilloside a

External chemical identifiers:
CID:3086657, ChEBI:175044

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Chemical structure information

SMILES:
OC[C@H]1O[C@@H](OCC2=CC[C@H](CC2)C(=C)C)[C@@H]([C@H]([C@@H]1O)O)O

InChI:
InChI=1S/C16H26O6/c1-9(2)11-5-3-10(4-6-11)8-21-16-15(20)14(19)13(18)12(7-17)22-16/h3,11-20H,1,4-8H2,2H3/t11-,12-,13-,14+,15-,16-/m1/s1

InChIKey:
YUTAFQVKXLDYFG-YTQIUSBHSA-N

DeepSMILES:
OC[C@H]O[C@@H]OCC=CC[C@H]CC6))C=C)C))))))))[C@@H][C@H][C@@H]6O))O))O

Functional groups:
C=C(C)C, CC=C(C)C, CO, CO[C@@H](C)OC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C(COC2CCCCO2)CCCC1

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, Monocyclic monoterpenoids

NP-Likeness score: 2.423

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Chemical structure download