Compound Identification
SMILES
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=UPUAOIBNQPKHHU-QLFQIJOPSA-N
Formula
C34H46N4O3
Mass
558.767
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 Imidolactams 1,3-aminoalcohols Tertiary alcohols Pyrrolidines Alpha-amino ketones Alpha-hydroxy ketones Heteroaromatic compounds Cyclic alcohols and derivatives Trialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Progestogin-skeleton - 20-oxosteroid - 3-oxosteroid - Hydroxysteroid - Oxosteroid - 17-hydroxysteroid - Pyridinylpiperazine - N-arylpiperazine - Dialkylarylamine - Aminopyridine - Cyclohexenone - N-alkylpiperazine - 1,4-diazinane - Piperazine - Pyridine - Imidolactam - Tertiary alcohol - Pyrrolidine - Alpha-aminoketone - Heteroaromatic compound - Alpha-hydroxy ketone - Cyclic alcohol - 1,3-aminoalcohol - Tertiary amine - Cyclic ketone - Tertiary aliphatic amine - Ketone - Azacycle - Organoheterocyclic compound - 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