Compound Identification
SMILES
CCN(CC)C1=C(N=C(C=C1)N1CCN(CC(=O)[C@H]2[C@H](C)CC3C4CCC5=CC(=O)C=C[C@]5(C)C4=CC[C@]23C)CC1)N(CC)CC
InChIKey
InChIKey=AGKOFSMXHVZNDI-UZJNKIHMSA-N
Formula
C39H57N5O2
Mass
627.918
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-1,4-steroids Delta-1,4-steroids Pyridinylpiperazines N-arylpiperazines Dialkylarylamines N-alkylpiperazines Aminopyridines and derivatives Imidolactams Alpha-amino ketones Heteroaromatic compounds Trialkylamines Cyclic ketones Azacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Progestogin-skeleton - 20-oxosteroid - 3-oxo-delta-1,4-steroid - 3-oxosteroid - Oxosteroid - Delta-1,4-steroid - Pyridinylpiperazine - N-arylpiperazine - Dialkylarylamine - Aminopyridine - N-alkylpiperazine - 1,4-diazinane - Piperazine - Pyridine - Imidolactam - Alpha-aminoketone - Heteroaromatic compound - Cyclic ketone - Tertiary aliphatic amine - Tertiary amine - Ketone - Organoheterocyclic compound - Azacycle - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Amine - Organonitrogen compound - Organooxygen 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