Summary

IMPPAT Phytochemical identifier: IMPHY001405

Phytochemical name: 2,6-Dimethyl-7-octene-2,3,6-triol

Synonymous chemical names:
2,6-dimethyl-7-octene-2,3,6-triol, 2,6-dimethyl-oct-7-ene-2,3,6-triol, 2,6-dimethyl-octa-7-ene-2,3,6-triol

External chemical identifiers:
CID:15241411, ChEBI:171754, MolPort-023-298-938

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Chemical structure information

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

InChI:
InChI=1S/C10H20O3/c1-5-10(4,13)7-6-8(11)9(2,3)12/h5,8,11-13H,1,6-7H2,2-4H3

InChIKey:
CNYFGLAROLNGDG-UHFFFAOYSA-N

DeepSMILES:
C=CCCCCCO)C)C))O))))O)C

Functional groups:
C=CC, 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 alcohols

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 2.607

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Chemical structure download