Compound Identification
SMILES
COC(=O)CCC(C)[C@H]1CCC2C3[C@H](O)CC4CC5=NC6=NC7=CC=CC=C7N6C=C5C[C@]4(C)C3C[C@H](O)[C@]12C
InChIKey
InChIKey=XHNUHPRFVQHTBU-UWZXIPANSA-N
Formula
C33H43N3O4
Mass
545.724
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Subclass
Bile acids, alcohols and derivatives
Intermediate Tree Nodes
Hydroxy bile acids, alcohols and derivatives
Direct Parent
Dihydroxy bile acids, alcohols and derivatives
Alternative Parents
12-hydroxysteroids 7-hydroxysteroids Quinazolines Imidazo[1,2-a]pyrimidines Benzimidazoles Fatty acid methyl esters Pyrimidines and pyrimidine derivatives N-substituted imidazoles Benzenoids Methyl esters Heteroaromatic compounds Secondary alcohols Cyclic alcohols and derivatives Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dihydroxy bile acid, alcohol, or derivatives - 12-hydroxysteroid - Hydroxysteroid - 7-hydroxysteroid - Diazanaphthalene - Quinazoline - Benzimidazole - Imidazo[1,2-a]pyrimidine - Fatty acid ester - Fatty acid methyl ester - N-substituted imidazole - Pyrimidine - Fatty acyl - Benzenoid - Heteroaromatic compound - Azole - Methyl ester - Imidazole - Cyclic alcohol - Secondary alcohol - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Alcohol - Carbonyl group - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as dihydroxy bile acids, alcohols and derivatives. These are compounds containing or derived from a bile acid or alcohol, and which bears exactly two carboxylic acid groups.
External Descriptors
Not available