Compound Identification
SMILES
C[C@]12CC=C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)CN1CCN(CC1)C1=NC(=NC(=C1)N1CCCC1)N1CCCC1
InChIKey
InChIKey=JCWCLUZRDXAPMK-ZBVNGGPSSA-N
Formula
C37H52N6O3
Mass
628.862
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 N-arylpiperazines Dialkylarylamines N-alkylpiperazines Cyclohexenones Aminopyrimidines and derivatives Imidolactams Heteroaromatic compounds 1,3-aminoalcohols Alpha-hydroxy ketones Alpha-amino ketones Pyrrolidines Tertiary alcohols Cyclic alcohols and derivatives Trialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Progestogin-skeleton - 20-oxosteroid - 3-oxosteroid - Hydroxysteroid - Oxosteroid - 17-hydroxysteroid - N-arylpiperazine - Dialkylarylamine - Aminopyrimidine - Cyclohexenone - N-alkylpiperazine - 1,4-diazinane - Piperazine - Pyrimidine - Imidolactam - Tertiary alcohol - Pyrrolidine - Alpha-aminoketone - Heteroaromatic compound - Alpha-hydroxy ketone - Cyclic alcohol - 1,3-aminoalcohol - Tertiary aliphatic amine - Tertiary amine - Cyclic ketone - Ketone - Organoheterocyclic compound - Azacycle - Alcohol - Organopnictogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Amine - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen 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