Compound Identification
SMILES
CNCCC1=C(Br)C(O)=C(OC)C2=C1C=CC1=CC(O)=C(OC)C=C21
InChIKey
InChIKey=PFWPUFBKEGTGHR-UHFFFAOYSA-N
Formula
C19H20BrNO4
Mass
406.276
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 Dialkylamines Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
6,6a-secoaporphine - Phenanthrol - Phenanthrene - 2-naphthol - Naphthalene - Phenethylamine - 2-bromophenol - Anisole - 2-halophenol - Phenol ether - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Phenol - Benzenoid - Aryl halide - Aryl bromide - Secondary amine - Secondary aliphatic amine - Ether - Organooxygen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - 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