Compound Identification
SMILES
COC1=CC=C2[C@@H]3CC4=C(Br)C=C(OCC5=CC=CC=C5)C5=C4C2(CCN3CC2CC2)C1O5
InChIKey
InChIKey=FRDLIUJBKFSGEZ-ZJOVHXHXSA-N
Formula
C28H28BrNO3
Mass
506.44
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
- Class Morphinans
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Morphinans
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Morphinans
Alternative Parents
Phenanthrenes and derivatives Tetralins Coumarans Phenol ethers Aralkylamines Alkyl aryl ethers Piperidines Benzene and substituted derivatives Aryl bromides Trialkylamines Oxacyclic compounds Azacyclic compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Morphinan - Phenanthrene - Tetralin - Coumaran - Phenol ether - Alkyl aryl ether - Aralkylamine - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Piperidine - Tertiary aliphatic amine - Tertiary amine - Oxacycle - Ether - Azacycle - Organoheterocyclic compound - Organohalogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organobromide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as morphinans. These are polycyclic compounds with a four-ring skeleton with three condensed six-member rings forming a partially hydrogenated phenanthrene moiety, one of which is aromatic while the two others are alicyclic.
External Descriptors
Not available