Compound Identification
SMILES
COC1=C(O)C=C2C=CC3=C(C(OC)=C(O)C(Br)=C3CC[N+](C)(C)C)C2=C1
InChIKey
InChIKey=DVUHDMJCZXLZGI-UHFFFAOYSA-O
Formula
C21H25BrNO4
Mass
435.337
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
- Class 6,6a-secoaporphines
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
6,6a-secoaporphines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
6,6a-secoaporphines
Alternative Parents
Phenanthrols Naphthols and derivatives Phenethylamines O-bromophenols Anisoles Aralkylamines Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Aryl bromides Tetraalkylammonium salts Organobromides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
6,6a-secoaporphine - Phenanthrol - Phenanthrene - 2-naphthol - Naphthalene - Phenethylamine - Anisole - 2-halophenol - 2-bromophenol - Phenol ether - Phenol - Aralkylamine - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Benzenoid - Aryl bromide - Aryl halide - Tetraalkylammonium salt - Quaternary ammonium salt - Ether - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic cation - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as 6,6a-secoaporphines. These are alkaloids with a structure that contains an aminoethylphenanthrene moiety.
External Descriptors
Not available