Compound Identification
SMILES
C[C@]12CCC3[C@@H](CC[C@@H]4C[C@H](CC[C@]34C)OC(=O)CCCCCCC(=O)NC(CCCN=C(N)N)C(O)=O)[C@]11O[C@@H]1CC2C1=COC(=O)C=C1
InChIKey
InChIKey=PRMSQJQRXAFMHG-GEIGGHBASA-N
Formula
C38H56N4O8
Mass
696.886
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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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
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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 Naphthopyrans N-acyl-alpha amino acids Naphthalenes Pyranones and derivatives Fatty acid esters Oxanes Dicarboxylic acids and derivatives N-acyl amines Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Guanidines Lactones Carboximidamides Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Dialkyl ethers Epoxides Oxacyclic compounds Carbonyl compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Bufanolide-skeleton - Steroid ester - Naphthopyran - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Alpha-amino acid or derivatives - Naphthalene - Fatty acid ester - Pyranone - Dicarboxylic acid or derivatives - Fatty acyl - Fatty amide - Oxane - N-acyl-amine - Pyran - Heteroaromatic compound - Lactone - Guanidine - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Oxirane - Ether - Oxacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Carbonyl group - Organopnictogen compound - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - 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