Compound Identification
SMILES
Br.COC(=O)C1=CC=C(CNC2CC3CCC2(C)C3(C)C)C=C1
InChIKey
InChIKey=XNSLMWGBEXJKAL-UHFFFAOYSA-N
Formula
C19H28BrNO2
Mass
382.342
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
-
Subclass
Monoterpenoids
- Level 5 Bicyclic 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
Bicyclic monoterpenoids
Alternative Parents
Benzoic acid esters Aromatic monoterpenoids Phenylmethylamines Benzylamines Benzoyl derivatives Aralkylamines Methyl esters Amino acids and derivatives Monocarboxylic acids and derivatives Dialkylamines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives Hydrobromides
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Bicyclic monoterpenoid - Bornane monoterpenoid - Benzoate ester - Aromatic monoterpenoid - Benzoic acid or derivatives - Phenylmethylamine - Benzylamine - Benzoyl - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Methyl ester - Carboxylic acid ester - Amino acid or derivatives - Secondary amine - Monocarboxylic acid or derivatives - Secondary aliphatic amine - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Hydrobromide - Organooxygen compound - Organonitrogen compound - Amine - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other.
External Descriptors
Not available