Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID001316

Phytochemical name: trans-2-Dodecen-1-ol

Synonymous chemical names:
2-Dodecenol, trans-2-Dodecen-1-ol, 2e-dodecen-ol

External chemical identifiers:
CID:CID_5352845, ChEMBL:CHEMBL2228468, ZINC:ZINC000002560461, SureChEMBL:SCHEMBL294780

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Chemical structure information

SMILES:
CCCCCCCCC/C=C/CO

InChI:
InChI=1S/C12H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h10-11,13H,2-9,12H2,1H3/b11-10+

InChIKey:
MLRYPOCSLBIUHY-ZHACJKMWSA-N

DeepSMILES:
CCCCCCCCC/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: 1.692

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Chemical structure download