Compound Identification
SMILES
COC1=CC(Cl)=C2CC[C@@]34[C@H]5CC(=O)C[C@@]3(CCN4N=N5)C2=C1OC
InChIKey
InChIKey=OHWULDSWTYVKPO-FHLIZLRMSA-N
Formula
C18H20ClN3O3
Mass
361.83
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
- Class Hasubanan alkaloids
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Hasubanan alkaloids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Hasubanan alkaloids
Alternative Parents
Phenanthrenes and derivatives Tetralins Indoles and derivatives Anisoles Alkyl aryl ethers Aryl chlorides Triazolines Pyrrolidines Cyclic ketones Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hasubanan skeleton - Phenanthrene - Tetralin - Indole or derivatives - Anisole - Phenol ether - Alkyl aryl ether - Aryl chloride - Aryl halide - Benzenoid - Triazoline - Pyrrolidine - Ketone - Cyclic ketone - Azacycle - Ether - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Carbonyl group - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as hasubanan alkaloids. These are alkaloids with a structure based on the hasubanan skeleton, a tetracyclic propellane.
External Descriptors
Not available