Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID001025

Phytochemical name: 6-Methylhept-5-en-2-ol

Synonymous chemical names:
hept-5-en-2-ol, 6-methyl, sulcatol, 6-methylhept-5-en-2-ol, 6-methyl-5-hepten-2-ol, 6-Methylhept-5-en-2-ol

External chemical identifiers:
CID:CID_20745, ChEBI:CHEBI:15833, FDASRS:33321H09GI, SureChEMBL:SCHEMBL195482, MolPort-002-501-771

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Chemical structure information

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

InChI:
InChI=1S/C8H16O/c1-7(2)5-4-6-8(3)9/h5,8-9H,4,6H2,1-3H3

InChIKey:
OHEFFKYYKJVVOX-UHFFFAOYSA-N

DeepSMILES:
CCCCC=CC)C)))))O

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

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty alcohols

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 2.541

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Chemical structure download