Compound Identification
SMILES
CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC[C@H](O)C[NH2+]C1CCCC1
InChIKey
InChIKey=NNSJFMSDVCESAL-XOYOTBSWSA-O
Formula
C18H36NO2
Mass
298.49
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
-
Subclass
Monoterpenoids
- Level 5 Menthane monoterpenoids
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Subclass
Monoterpenoids
-
Class
Prenol lipids
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Monoterpenoids
Intermediate Tree Nodes
Not available
Direct Parent
Menthane monoterpenoids
Alternative Parents
Monocyclic monoterpenoids Quaternary ammonium salts Secondary alcohols 1,2-aminoalcohols Dialkylamines Dialkyl ethers Hydrocarbon derivatives Organic cations
Molecular Framework
Aliphatic homomonocyclic compounds
Substituents
Monocyclic monoterpenoid - P-menthane monoterpenoid - Quaternary ammonium salt - 1,2-aminoalcohol - Secondary alcohol - Dialkyl ether - Secondary aliphatic amine - Ether - Organonitrogen compound - Organic oxygen compound - Alcohol - Organic nitrogen compound - Amine - Organooxygen compound - Hydrocarbon derivative - Organic cation - Aliphatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as menthane monoterpenoids. These are monoterpenoids with a structure based on the o-, m-, or p-menthane backbone. P-menthane consists of the cyclohexane ring with a methyl group and a (2-methyl)-propyl group at the 1 and 4 ring position, respectively. The o- and m- menthanes are much rarer, and presumably arise by alkyl migration of p-menthanes.
External Descriptors
Not available