Compound Identification
SMILES
CC12CCC3C(CCC4=C(C(=O)CCC34C)[N+]([O-])=O)C1CC[C@@H]2C(O)CO
InChIKey
InChIKey=XDGGKGUUHTZPHV-WAJKLFGISA-N
Formula
C21H31NO5
Mass
377.481
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
-
Subclass
Hydroxysteroids
- Level 5 21-hydroxysteroids
-
Subclass
Hydroxysteroids
-
Class
Steroids and steroid derivatives
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Subclass
Hydroxysteroids
Intermediate Tree Nodes
Not available
Direct Parent
21-hydroxysteroids
Alternative Parents
Gluco/mineralocorticoids, progestogins and derivatives 3-oxo delta-4-steroids Delta-4-steroids Nitronaphthalenes Cyclohexenones Secondary alcohols 1,2-diols C-nitro compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organonitrogen compounds Primary alcohols
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Progestogin-skeleton - 21-hydroxysteroid - Pregnane-skeleton - 3-oxo-delta-4-steroid - 3-oxosteroid - Oxosteroid - Delta-4-steroid - 1-nitronaphthalene - Cyclohexenone - Organic nitro compound - Ketone - C-nitro compound - 1,2-diol - Secondary alcohol - Cyclic ketone - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Alcohol - Organooxygen compound - Organonitrogen compound - Organic salt - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Primary alcohol - Carbonyl group - Organic oxide - Organic zwitterion - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as 21-hydroxysteroids. These are steroids carrying a hydroxyl group at the 21-position of the steroid backbone.
External Descriptors
Not available