Compound Identification
SMILES
CC12CCC3C(CCC4(O)CC(CCC34C)OC(=O)CCCCCC(=O)NC(CCCNC(N)=N)C(O)=O)C11OC1CC2c1ccc(=O)oc1
InChIKey
InChIKey=PSKPPRGFQJBANU-UHFFFAOYSA-N
Formula
C37H54N4O9
Mass
698.858
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 Arginine and derivatives Naphthopyrans N-acyl-alpha amino acids Naphthalenes Pyranones and derivatives Fatty acid esters Dicarboxylic acids and derivatives Oxanes N-acyl amines Tertiary alcohols Heteroaromatic compounds Cyclic alcohols and derivatives Secondary carboxylic acid amides Guanidines Carboxylic acid esters Lactones Dialkyl ethers Carboximidamides Carboxylic acids Epoxides Oxacyclic compounds Hydrocarbon derivatives Imines Organic oxides Carbonyl compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Bufanolide-skeleton - Steroid ester - Arginine or derivatives - Naphthopyran - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Naphthalene - Fatty acid ester - Pyranone - Dicarboxylic acid or derivatives - Fatty amide - N-acyl-amine - Fatty acyl - Oxane - Pyran - Cyclic alcohol - Heteroaromatic compound - Tertiary alcohol - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Guanidine - Lactone - Carboximidamide - Carboxylic acid derivative - Organoheterocyclic compound - Carboxylic acid - Dialkyl ether - Oxirane - Ether - Oxacycle - Carbonyl group - Alcohol - Organic oxygen compound - Organopnictogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Imine - Organic nitrogen 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