Compound Identification
SMILES
CC12CC(O)C3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(=O)COC(=O)CCC(=O)NC(CC(O)=O)C1CCOC(C)(C)C1
InChIKey
InChIKey=KOTAEFGETFAPEM-UHFFFAOYSA-N
Formula
C35H51NO10
Mass
645.79
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 3-oxo delta-4-steroids 17-hydroxysteroids 11-hydroxysteroids Delta-4-steroids Beta amino acids and derivatives Alpha-acyloxy ketones Cyclohexenones N-acyl amines Dicarboxylic acids and derivatives Oxanes Tertiary alcohols Alpha-hydroxy ketones Secondary alcohols Secondary carboxylic acid amides Carboxylic acid esters Cyclic alcohols and derivatives Oxacyclic compounds Dialkyl ethers Carboxylic acids Organic oxides Hydrocarbon derivatives Organopnictogen compounds Organonitrogen compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Progestogin-skeleton - 20-oxosteroid - 3-oxo-delta-4-steroid - 3-oxosteroid - Hydroxysteroid - Oxosteroid - 11-hydroxysteroid - 17-hydroxysteroid - Delta-4-steroid - Beta amino acid or derivatives - Alpha-acyloxy ketone - Cyclohexenone - N-acyl-amine - Dicarboxylic acid or derivatives - Fatty amide - Oxane - Fatty acyl - Cyclic alcohol - Alpha-hydroxy ketone - Tertiary alcohol - Ketone - Cyclic ketone - Carboxamide group - Secondary alcohol - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxylic acid derivative - Oxacycle - Carboxylic acid - Organoheterocyclic compound - Dialkyl ether - Ether - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Alcohol - Organooxygen compound - Organopnictogen compound - Organonitrogen compound - Organic oxide - Aliphatic 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