Summary

IMPPAT Phytochemical identifier: IMPHY010199

Phytochemical name: (E)-6-Methylhept-3-en-1-ol

Synonymous chemical names:
methyl-heptenol, methylheptenol

External chemical identifiers:
CID:6433270, FDASRS:WA6ZUV6CN5, SureChEMBL:SCHEMBL15913906

---

Chemical structure information

SMILES:
OCC/C=C/CC(C)C

InChI:
InChI=1S/C8H16O/c1-8(2)6-4-3-5-7-9/h3-4,8-9H,5-7H2,1-2H3/b4-3+

InChIKey:
ORDORPRDJRJHON-ONEGZZNKSA-N

DeepSMILES:
OCC/C=C/CCC)C

Functional groups:
C/C=C/C, CO

---

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: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty alcohols

NP-Likeness score: 2.595

---

Chemical structure download