Compound Identification
SMILES
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CS
InChIKey
InChIKey=YWDBSCORAARPPF-VWUMJDOOSA-N
Formula
C21H30O4S
Mass
378.53
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 17-hydroxysteroids 11-beta-hydroxysteroids Delta-4-steroids Cyclohexenones Tertiary alcohols Alpha-hydroxy ketones Secondary alcohols Cyclic alcohols and derivatives Alkylthiols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Progestogin-skeleton - 20-oxosteroid - 3-oxo-delta-4-steroid - 3-oxosteroid - 17-hydroxysteroid - 11-hydroxysteroid - 11-beta-hydroxysteroid - Hydroxysteroid - Oxosteroid - Delta-4-steroid - Cyclohexenone - Tertiary alcohol - Cyclic alcohol - Alpha-hydroxy ketone - Ketone - Cyclic ketone - Secondary alcohol - Alkylthiol - Organic oxygen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Hydrocarbon derivative - Alcohol - Organic oxide - Aliphatic 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
CHEBI:63560 : 3-oxo steroid - 11beta-hydroxy steroid - 17alpha-hydroxy steroid - 20-oxo steroid - steroid sulfide