Summary

IMPPAT Phytochemical identifier: IMPHY012258

Phytochemical name: 2-Methyl-6-methyleneocta-2,7-dien-4-ol

Synonymous chemical names:
2-methyl-6-meth ylene- 2,7-0ctadien-4-01, ipsdienol

External chemical identifiers:
CID:85734, SureChEMBL:SCHEMBL854900, MolPort-004-968-413

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Chemical structure information

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

InChI:
InChI=1S/C10H16O/c1-5-9(4)7-10(11)6-8(2)3/h5-6,10-11H,1,4,7H2,2-3H3

InChIKey:
NHMKYUHMPXBMFI-UHFFFAOYSA-N

DeepSMILES:
C=CC=C)CCC=CC)C)))O

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

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Monoterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 2.917

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Chemical structure download