Compound Identification
SMILES
CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)[C@H](Br)[C@]12C
InChIKey
InChIKey=BJZVIASULZGRCL-YRCLAMMRSA-N
Formula
C21H29BrO3
Mass
409.364
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 Halogenated steroids 3-oxo delta-4-steroids 11-beta-hydroxysteroids Delta-4-steroids Cyclohexenones Secondary alcohols Cyclic alcohols and derivatives Bromohydrins Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Progestogin-skeleton - 20-oxosteroid - 3-oxo-delta-4-steroid - 3-oxosteroid - 11-hydroxysteroid - 11-beta-hydroxysteroid - Oxosteroid - 12-halo-steroid - Halo-steroid - Hydroxysteroid - Delta-4-steroid - Cyclohexenone - Cyclic alcohol - Bromohydrin - Cyclic ketone - Secondary alcohol - Halohydrin - Ketone - Alcohol - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Alkyl halide - Organooxygen compound - Organobromide - Organohalogen compound - Alkyl bromide - 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:34152 : corticosteroid hormone