Compound Identification
SMILES
CN(C)C1=CC2=NC3=C(C=CC(=C3)N(C)C)C(SCC(=O)OCC(=O)C3(O)CCC4C5CCC6=CC(=O)C=CC6(C)C5C(=O)CC34C)=C2C=C1
InChIKey
InChIKey=JYRZNFYQWHJSJA-UHFFFAOYSA-N
Formula
C40H45N3O6S
Mass
695.88
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-oxosteroids 17-hydroxysteroids 3-oxo delta-1,4-steroids Delta-1,4-steroids Acridines Aminoquinolines and derivatives Dialkylarylamines Alkylarylthioethers Alpha-acyloxy ketones Pyridines and derivatives Benzenoids Tertiary alcohols Heteroaromatic compounds Alpha-hydroxy ketones Cyclic ketones Cyclic alcohols and derivatives Carboxylic acid esters Amino acids and derivatives Sulfenyl compounds Monocarboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organopnictogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Progestogin-skeleton - 20-oxosteroid - 3-oxo-delta-1,4-steroid - 17-hydroxysteroid - 3-oxosteroid - Oxosteroid - 11-oxosteroid - Hydroxysteroid - Delta-1,4-steroid - Acridine - Benzoquinoline - Aminoquinoline - Quinoline - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Aryl thioether - Alkylarylthioether - Alpha-acyloxy ketone - Benzenoid - Pyridine - Tertiary alcohol - Alpha-hydroxy ketone - Cyclic alcohol - Heteroaromatic compound - Tertiary amine - Amino acid or derivatives - Carboxylic acid ester - Cyclic ketone - Ketone - Monocarboxylic acid or derivatives - Thioether - Carboxylic acid derivative - Sulfenyl compound - Azacycle - Organoheterocyclic compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organopnictogen compound - Organonitrogen compound - Alcohol - Organic nitrogen compound - Amine - 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