Compound Identification
SMILES
C[C@]12C[C@@H](O)[C@H]3[C@@H](CC[C@@H]4C[C@H](CC[C@]34C)OC(=O)CCCCCCC(=O)N[C@H](CCCN=C(N)N)C(O)=O)[C@@]1(O)CC[C@@H]2C1=COC(=O)C=C1
InChIKey
InChIKey=UQWIHDZMOYEOHL-XEAGUBQWSA-N
Formula
C38H58N4O9
Mass
714.901
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
-
Subclass
Steroid lactones
- Level 5 Bufanolides and derivatives
-
Subclass
Steroid lactones
-
Class
Steroids and steroid derivatives
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Subclass
Steroid lactones
Intermediate Tree Nodes
Not available
Direct Parent
Bufanolides and derivatives
Alternative Parents
Steroid esters 11-alpha-hydroxysteroids 14-hydroxysteroids N-acyl-alpha amino acids Pyranones and derivatives Heterocyclic fatty acids Hydroxy fatty acids Dicarboxylic acids and derivatives N-acyl amines Tertiary alcohols Heteroaromatic compounds Secondary carboxylic acid amides Secondary alcohols Carboxylic acid esters Cyclic alcohols and derivatives Guanidines Lactones Propargyl-type 1,3-dipolar organic compounds Carboximidamides Oxacyclic compounds Carboxylic acids Carbonyl compounds Organopnictogen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Bufanolide-skeleton - Steroid ester - Hydroxysteroid - 14-hydroxysteroid - 11-alpha-hydroxysteroid - 11-hydroxysteroid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Pyranone - Hydroxy fatty acid - Heterocyclic fatty acid - Fatty acid - Fatty acyl - N-acyl-amine - Dicarboxylic acid or derivatives - Pyran - Fatty amide - Tertiary alcohol - Heteroaromatic compound - Cyclic alcohol - Secondary carboxylic acid amide - Secondary alcohol - Lactone - Carboxylic acid ester - Carboxamide group - Guanidine - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Organopnictogen compound - Alcohol - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as bufanolides and derivatives. These are steroid lactones containing a pyran-2-one moiety linked to the C17 atom of a cyclopenta[a]phenanthrene derivative.
External Descriptors
Not available