Compound Identification
SMILES
C[N+](C)(CCCN1C2=CC=CC=C2SC2=C1C=C(Cl)C=C2)CC(=O)C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1
InChIKey
InChIKey=IHKZVSYCCIGOSC-UHFFFAOYSA-N
Formula
C35H30ClN2OS
Mass
562.15
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
Pyrenes Phenothiazines Phenanthrenes and derivatives Alkyldiarylamines Diarylthioethers Naphthalenes Aryl alkyl ketones 1,4-thiazines Aryl chlorides Alpha-amino ketones Tetraalkylammonium salts Azacyclic compounds Hydrocarbon derivatives Organochlorides Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
6,6a-secoaporphine - Pyrene - Phenanthrene - Phenothiazine - Alkyldiarylamine - Diarylthioether - Benzothiazine - Naphthalene - Aryl alkyl ketone - Aryl ketone - Tertiary aliphatic/aromatic amine - Aryl thioether - Aryl chloride - Benzenoid - Aryl halide - Para-thiazine - Tetraalkylammonium salt - Quaternary ammonium salt - Alpha-aminoketone - Ketone - Tertiary amine - Azacycle - Organoheterocyclic compound - Thioether - Organochloride - Organohalogen compound - Organic oxygen compound - Amine - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic cation - Aromatic heteropolycyclic 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