Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID017981

Phytochemical name: 5-Acetoxymethyl-2,6,10-trimethyl-2,9-undecadien-6-ol

Synonymous chemical names:
5-Acetoxymethyl-2,6,10-trimethyl-2,9-undecadien-6-ol

External chemical identifiers:
CID:CID_550120

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Chemical structure information

SMILES:
CC(=O)OCC(C(CCC=C(C)C)(O)C)CC=C(C)C

InChI:
InChI=1S/C17H30O3/c1-13(2)8-7-11-17(6,19)16(10-9-14(3)4)12-20-15(5)18/h8-9,16,19H,7,10-12H2,1-6H3

InChIKey:
HOYPSAPPDGUDDB-UHFFFAOYSA-N

DeepSMILES:
CC=O)OCCCCCC=CC)C)))))O)C))CC=CC)C

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

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty alcohol esters

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 1.763

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Chemical structure download