Compound Identification
SMILES
CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(=O)COC(=O)CC1=CC=C(C=C1)N(CCCl)CCCl
InChIKey
InChIKey=CEEWUMMLYHIYAH-UHFFFAOYSA-N
Formula
C33H43Cl2NO4
Mass
588.61
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Subclass
Pregnane steroids
Intermediate Tree Nodes
Not available
Direct Parent
Gluco/mineralocorticoids, progestogins and derivatives
Alternative Parents
20-oxosteroids 3-oxo delta-4-steroids Delta-4-steroids Nitrogen mustard compounds Dialkylarylamines Aniline and substituted anilines Cyclohexenones Alpha-acyloxy ketones Carboxylic acid esters Amino acids and derivatives Monocarboxylic acids and derivatives Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Progestogin-skeleton - 20-oxosteroid - Oxosteroid - 3-oxosteroid - 3-oxo-delta-4-steroid - Delta-4-steroid - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Nitrogen mustard - Cyclohexenone - Alpha-acyloxy ketone - Benzenoid - Monocyclic benzene moiety - Cyclic ketone - Tertiary amine - Ketone - Carboxylic acid ester - Amino acid or derivatives - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Carbonyl group - Amine - Alkyl halide - Alkyl chloride - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as gluco/mineralocorticoids, progestogins and derivatives. These are steroids with a structure based on a hydroxylated prostane moiety.
External Descriptors
Not available