Compound Identification
SMILES
CC12CC(=O)C3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(=O)COC(=O)CCC(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O
InChIKey
InChIKey=CVXPWHDYRLDSKV-UHFFFAOYSA-N
Formula
C36H42N2O9
Mass
646.737
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-oxosteroids 17-hydroxysteroids 3-oxo delta-4-steroids Delta-4-steroids N-acyl-alpha amino acids Indolyl carboxylic acids and derivatives 3-alkylindoles Alpha-acyloxy ketones Cyclohexenones Substituted pyrroles N-acyl amines Dicarboxylic acids and derivatives Benzenoids Tertiary alcohols Heteroaromatic compounds Alpha-hydroxy ketones Secondary carboxylic acid amides Carboxylic acid esters Cyclic alcohols and derivatives Azacyclic compounds Carboxylic acids Organonitrogen compounds Organic oxides Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Progestogin-skeleton - 20-oxosteroid - 3-oxo-delta-4-steroid - 3-oxosteroid - Oxosteroid - Hydroxysteroid - 11-oxosteroid - 17-hydroxysteroid - Delta-4-steroid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Indolyl carboxylic acid derivative - Alpha-amino acid or derivatives - 3-alkylindole - Indole - Indole or derivatives - Cyclohexenone - Alpha-acyloxy ketone - Dicarboxylic acid or derivatives - Fatty amide - Fatty acyl - N-acyl-amine - Benzenoid - Substituted pyrrole - Alpha-hydroxy ketone - Pyrrole - Heteroaromatic compound - Tertiary alcohol - Cyclic alcohol - Cyclic ketone - Ketone - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organopnictogen compound - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Alcohol - 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