Compound Identification
SMILES
CC(=O)OC1CC2(O)C3CCC4CC(CCC4(C)C3CCC2(C)C1C1=COC(=O)C=C1)OC(=O)CCC(=O)NC(CCCN=C(N)N)C(O)=O
InChIKey
InChIKey=ZHIFTHYTXVBJCZ-UHFFFAOYSA-N
Formula
C36H52N4O10
Mass
700.83
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
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Class
Steroids and steroid derivatives
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Subclass
Steroid lactones
- Level 5 Bufanolides and derivatives
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Subclass
Steroid lactones
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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 14-hydroxysteroids N-acyl-alpha amino acids Tricarboxylic acids and derivatives Pyranones and derivatives N-acyl amines Tertiary alcohols Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Cyclic alcohols and derivatives Guanidines Lactones Propargyl-type 1,3-dipolar organic compounds Carboximidamides Carboxylic acids Oxacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organopnictogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Bufanolide-skeleton - Steroid ester - 14-hydroxysteroid - Hydroxysteroid - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Alpha-amino acid or derivatives - Tricarboxylic acid or derivatives - Pyranone - N-acyl-amine - Fatty amide - Fatty acyl - Pyran - Cyclic alcohol - Heteroaromatic compound - Tertiary alcohol - Guanidine - Carboxylic acid ester - Secondary carboxylic acid amide - Lactone - Carboxamide group - 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