Summary

IMPPAT Phytochemical identifier: IMPHY014438

Phytochemical name: 1,6,10-Dodecatrien-3-ol

Synonymous chemical names:
1,6,10-dodecatrien-3-ol, 1.6.10-dodecatrien-3-ol

External chemical identifiers:
CID:54135459, SureChEMBL:SCHEMBL1834214

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Chemical structure information

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

InChI:
InChI=1S/C12H20O/c1-3-5-6-7-8-9-10-11-12(13)4-2/h3-5,8-9,12-13H,2,6-7,10-11H2,1H3

InChIKey:
NXJIRNVLVAPDED-UHFFFAOYSA-N

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

Functional groups:
C=CC, CC=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: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty alcohols

NP-Likeness score: 2.579

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Chemical structure download