Compound Identification
SMILES
CC(OC(=O)C1=CN=CC=C1)[C@]1(O)CC[C@@]2(O)[C@]1(C)[C@@H](CC1[C@@]3(C)CC[C@H](O)CC3=CC[C@@]21O)OC(=O)\C=C\C1=CC=CC=C1
InChIKey
InChIKey=CQLUYSHACKIUHL-HRFTYYJFSA-N
Formula
C36H43NO8
Mass
617.739
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
Steroid esters 3-beta-hydroxysteroids 3-beta-hydroxy delta-5-steroids 17-hydroxysteroids 14-hydroxysteroids Delta-5-steroids Cinnamic acid esters Pyridinecarboxylic acids Styrenes Dicarboxylic acids and derivatives Tertiary alcohols Heteroaromatic compounds Enoate esters Secondary alcohols Cyclic alcohols and derivatives Polyols Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Progestogin-skeleton - Steroid ester - 17-hydroxysteroid - 3-beta-hydroxysteroid - 3-beta-hydroxy-delta-5-steroid - Hydroxysteroid - 14-hydroxysteroid - 3-hydroxysteroid - 3-hydroxy-delta-5-steroid - Delta-5-steroid - Cinnamic acid ester - Cinnamic acid or derivatives - Pyridine carboxylic acid or derivatives - Pyridine carboxylic acid - Styrene - Benzenoid - Pyridine - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary alcohol - Cyclic alcohol - Secondary alcohol - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Polyol - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - 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