Compound Identification
SMILES
C[C@]12CC[C@H]3[C@@H](CCC4=C3C=CC(OC(=O)N(CCCl)CCCl)=C4)[C@@H]1CC[C@@H]2O
InChIKey
InChIKey=FRPJXPJMRWBBIH-RBRWEJTLSA-N
Formula
C23H31Cl2NO3
Mass
440.41
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
- Subclass Estrane steroids
-
Class
Steroids and steroid derivatives
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Subclass
Estrane steroids
Intermediate Tree Nodes
Not available
Direct Parent
Estrane steroids
Alternative Parents
17-hydroxysteroids Phenanthrenes and derivatives Tetralins Nitrogen mustard compounds Carbamate esters Secondary alcohols Organic carbonic acids and derivatives Cyclic alcohols and derivatives Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Estrane-skeleton - Hydroxysteroid - 17-hydroxysteroid - Phenanthrene - Tetralin - Nitrogen mustard - Benzenoid - Cyclic alcohol - Carbamic acid ester - Secondary alcohol - Carbonic acid derivative - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Alkyl chloride - Alcohol - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Alkyl halide - Organic oxygen compound - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as estrane steroids. These are steroids with a structure based on the estrane skeleton.
External Descriptors
CHEBI:4868 :
carbamate ester - organochlorine compound - 17beta-hydroxy steroid
LIPIDMAPS (LMST02010038) :
C18 steroids (estrogens) and derivatives
KEGG (C11228) :
C18 steroids (estrogens) and derivatives - Estrane and derivatives