Compound Identification
SMILES
C[C@H]1CC2C3CC[C@](O)(C(=O)COC(=O)C4=CC(CN5CCN(C)CC5)=CC=C4)C3(C)CC(O)C2C2(C)C=CC(=O)C=C12
InChIKey
InChIKey=XWTZFNOOIGWCKQ-NLQKDJIQSA-N
Formula
C35H46N2O6
Mass
590.761
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 11-hydroxysteroids 17-hydroxysteroids 3-oxo delta-1,4-steroids Delta-1,4-steroids Benzoic acid esters Phenylmethylamines Benzoyl derivatives Benzylamines N-methylpiperazines Aralkylamines Tertiary alcohols Alpha-hydroxy ketones Trialkylamines Secondary alcohols Amino acids and derivatives Cyclic ketones Cyclic alcohols and derivatives Carboxylic acid esters Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Progestogin-skeleton - 20-oxosteroid - 3-oxo-delta-1,4-steroid - 3-oxosteroid - Hydroxysteroid - Oxosteroid - 17-hydroxysteroid - 11-hydroxysteroid - Delta-1,4-steroid - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Benzylamine - Phenylmethylamine - Aralkylamine - N-alkylpiperazine - N-methylpiperazine - Piperazine - Monocyclic benzene moiety - 1,4-diazinane - Benzenoid - Tertiary alcohol - Alpha-hydroxy ketone - Cyclic alcohol - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Amino acid or derivatives - Carboxylic acid ester - Cyclic ketone - Ketone - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Alcohol - Organic nitrogen compound - Organooxygen compound - Organonitrogen 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