Compound Identification
SMILES
CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(O)C=O
InChIKey
InChIKey=HIXLXYQKUSOMDM-UHFFFAOYSA-N
Formula
C21H30O3
Mass
330.468
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
Hydroxysteroids 3-oxo delta-4-steroids Delta-4-steroids Cyclohexenones Alpha-hydroxyaldehydes Secondary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Progestogin-skeleton - 20-hydroxysteroid - 3-oxo-delta-4-steroid - 3-oxosteroid - Oxosteroid - Hydroxysteroid - Delta-4-steroid - Cyclohexenone - Alpha-hydroxyaldehyde - Cyclic ketone - Secondary alcohol - Ketone - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Aldehyde - Organic oxide - Organooxygen compound - Alcohol - 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
META CYC (20-HYDROXY-3-OXOPREGN-4-EN-21-AL) : a small molecule