Compound Identification
SMILES
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CSC1=NC2=C(S1)N=CC=C2
InChIKey
InChIKey=VCFBBMLFDTXNGZ-FKHBXXRNSA-N
Formula
C28H32N2O4S2
Mass
524.69
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 11-beta-hydroxysteroids 17-hydroxysteroids 3-oxo delta-1,4-steroids Delta-1,4-steroids Alkylarylthioethers Pyridines and derivatives Thiazoles Tertiary alcohols Alpha-hydroxy ketones Heteroaromatic compounds Cyclic ketones Cyclic alcohols and derivatives Secondary alcohols Azacyclic compounds Sulfenyl compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Progestogin-skeleton - 20-oxosteroid - 3-oxo-delta-1,4-steroid - 3-oxosteroid - Hydroxysteroid - Oxosteroid - 11-beta-hydroxysteroid - 11-hydroxysteroid - 17-hydroxysteroid - Delta-1,4-steroid - Aryl thioether - Alkylarylthioether - Pyridine - Thiazole - Tertiary alcohol - Heteroaromatic compound - Alpha-hydroxy ketone - Azole - Cyclic alcohol - Cyclic ketone - Secondary alcohol - Ketone - Sulfenyl compound - Organoheterocyclic compound - Thioether - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organosulfur compound - Alcohol - Organic oxygen compound - Aromatic heteropolycyclic 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