Summary

IMPPAT Phytochemical identifier: IMPHY017180

Phytochemical name: 2,6,10-Dodecatrien-1-ol

Synonymous chemical names:
2,6,10-dodecatrien-1-ol

External chemical identifiers:
CID:18365522, SureChEMBL:SCHEMBL5410991

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Chemical structure information

SMILES:
C/C=C/CC/C=C/CC/C=C/CO

InChI:
InChI=1S/C12H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-3,6-7,10-11,13H,4-5,8-9,12H2,1H3/b3-2+,7-6+,11-10+

InChIKey:
VCLWSWMAOCDYJR-DJWHJZFYSA-N

DeepSMILES:
C/C=C/CC/C=C/CC/C=C/CO

Functional groups:
C/C=C/C, 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: 1.844

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Chemical structure download