Compound Identification
SMILES
CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(=O)CSC1=CC=C(C=C1)N(CCCl)CCCl
InChIKey
InChIKey=PYDWODSWXGKSRQ-UHFFFAOYSA-N
Formula
C31H41Cl2NO2S
Mass
562.63
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 Thiophenol ethers Nitrogen mustard compounds Dialkylarylamines Aniline and substituted anilines Cyclohexenones Alkylarylthioethers Sulfenyl compounds 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 - Aryl thioether - Aniline or substituted anilines - Dialkylarylamine - Thiophenol ether - Tertiary aliphatic/aromatic amine - Nitrogen mustard - Cyclohexenone - Alkylarylthioether - Benzenoid - Monocyclic benzene moiety - Cyclic ketone - Tertiary amine - Ketone - Sulfenyl compound - Thioether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - 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