Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018166

Phytochemical name: E-11(12-cyclopropyl)dodecen-1-ol

Synonymous chemical names:
E-11(12-Cyclopropyl)dodecen-1-ol

External chemical identifiers:
CID:CID_5365759

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Chemical structure information

SMILES:
OCCCCCCCCCC/C=C/C1CC1

InChI:
InChI=1S/C15H28O/c16-14-10-8-6-4-2-1-3-5-7-9-11-15-12-13-15/h9,11,15-16H,1-8,10,12-14H2/b11-9+

InChIKey:
TVXGMGDHSCTYTG-PKNBQFBNSA-N

DeepSMILES:
OCCCCCCCCCC/C=C/CCC3

Functional groups:
CO, C/C=C/C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC1

Scaffold Graph/Node level:
C1CC1

Scaffold Graph level:
C1CC1

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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: 1.584

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Chemical structure download