Compound Identification
SMILES
C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)C=O
InChIKey
InChIKey=DJLICGGNASJAQR-ZPOLXVRWSA-N
Formula
C21H26O5
Mass
358.434
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-oxosteroids Delta-4-steroids Cyclohexenones Tertiary alcohols Alpha-hydroxy ketones Alpha ketoaldehydes Cyclic alcohols and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Progestogin-skeleton - 20-oxosteroid - 3-oxo-delta-4-steroid - 3-oxosteroid - 17-hydroxysteroid - Hydroxysteroid - Oxosteroid - 11-oxosteroid - Delta-4-steroid - Cyclohexenone - Alpha-ketoaldehyde - Alpha-hydroxy ketone - Cyclic alcohol - Tertiary alcohol - Cyclic ketone - Ketone - Hydrocarbon derivative - Alcohol - Carbonyl group - Organic oxide - Organic oxygen compound - Aldehyde - Organooxygen compound - 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:78596 : 17alpha-hydroxy steroid - 3-oxo Delta(4)-steroid - 20-oxo steroid - 11-oxo steroid - C21-steroid - 21-oxo steroid