Compound Identification
SMILES
OC(=O)\C=C\C(O)=O.C[C@]12CC=C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)CN1CCN(CC1)C1=CC=CC(=N1)N1CCCC1
InChIKey
InChIKey=ASCVHLFCGMUMAY-AQHKGGEWSA-N
Formula
C38H50N4O7
Mass
674.839
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 17-hydroxysteroids 3-oxosteroids Pyridinylpiperazines N-arylpiperazines Dialkylarylamines Aminopyridines and derivatives Cyclohexenones N-alkylpiperazines Unsaturated fatty acids Dicarboxylic acids and derivatives Imidolactams 1,3-aminoalcohols Pyrrolidines Alpha-hydroxy ketones Alpha-amino ketones Tertiary alcohols Heteroaromatic compounds Cyclic alcohols and derivatives Trialkylamines Carboxylic acids Azacyclic compounds Organic oxides Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Progestogin-skeleton - 20-oxosteroid - 3-oxosteroid - 17-hydroxysteroid - Oxosteroid - Hydroxysteroid - Pyridinylpiperazine - N-arylpiperazine - Dialkylarylamine - Aminopyridine - N-alkylpiperazine - Cyclohexenone - Imidolactam - Piperazine - Dicarboxylic acid or derivatives - Pyridine - 1,4-diazinane - Unsaturated fatty acid - Fatty acyl - Fatty acid - 1,3-aminoalcohol - Alpha-aminoketone - Alpha-hydroxy ketone - Cyclic alcohol - Heteroaromatic compound - Pyrrolidine - Tertiary alcohol - Tertiary amine - Tertiary aliphatic amine - Ketone - Cyclic ketone - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organonitrogen compound - Organooxygen compound - Carbonyl group - Amine - Organic oxygen compound - Alcohol - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - 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