Compound Identification
SMILES
Br.COC1=CC2=C(C[C@H]3[C@@H](O)[C@@]2(C)CCN3CCC2=CC=CC=C2)C=C1
InChIKey
InChIKey=XCJGPAATYPPABM-JDCPXUKWSA-N
Formula
C22H28BrNO2
Mass
418.375
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
- Class 6,7-benzomorphans
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
6,7-benzomorphans
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
6,7-benzomorphans
Alternative Parents
Benzazocines Tetralins Phenethylamines Anisoles Aralkylamines Alkyl aryl ethers Piperidines Trialkylamines Secondary alcohols 1,2-aminoalcohols Azacyclic compounds Hydrocarbon derivatives Hydrobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
6,7-benzomorphan - Benzazocine - Tetralin - Phenethylamine - Anisole - Phenol ether - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Piperidine - Benzenoid - Tertiary amine - Secondary alcohol - 1,2-aminoalcohol - Tertiary aliphatic amine - Azacycle - Ether - Organoheterocyclic compound - Hydrobromide - Alcohol - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 6,7-benzomorphans. These are opioid alkaloids based on the tricyclic 6,7-benzomorphan skeleton. Benzomorphans are derived from morpholine, but lack its C ring.
External Descriptors
Not available