Compound Identification
SMILES
OC(=O)\C=C\C(O)=O.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=WJERICCZBQJXBB-IZEBQNMXSA-N
Formula
C43H61N5O6
Mass
743.99
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 Aminopyridines and derivatives N-alkylpiperazines Unsaturated fatty acids Imidolactams Dicarboxylic acids and derivatives Alpha-amino ketones Heteroaromatic compounds Trialkylamines Cyclic ketones Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
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 - Dicarboxylic acid or derivatives - Fatty acyl - Piperazine - Pyridine - Fatty acid - Unsaturated fatty acid - Imidolactam - Heteroaromatic compound - Alpha-aminoketone - Cyclic ketone - Tertiary aliphatic amine - Tertiary amine - Ketone - Carboxylic acid - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Amine - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - 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