Compound Identification
SMILES
CCCC(=O)NC1=CC(C(C)=O)=C(OCC(O)CNC(C)C)C=C1.COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]22CCC(=O)O2)[C@H]13
InChIKey
InChIKey=AQFCPAZBPLVRRA-PUDZRVQSSA-N
Formula
C42H58N2O10
Mass
750.93
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 Spironolactones 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
Spironolactones and derivatives
Alternative Parents
Alkyl-phenylketones Acetophenones Anilides Phenoxy compounds Phenol ethers Aryl alkyl ketones N-arylamides Benzoyl derivatives Alkyl aryl ethers Oxepanes Cyclohexenones Dicarboxylic acids and derivatives Fatty amides Gamma butyrolactones Methyl esters Oxolanes 1,2-aminoalcohols Amino acids and derivatives Secondary carboxylic acid amides Secondary alcohols Dialkylamines Dialkyl ethers Oxacyclic compounds Epoxides Hydrocarbon derivatives Organic oxides
Molecular Framework
Not available
Substituents
Spironolactone - Alkyl-phenylketone - Acetophenone - Phenylketone - Anilide - Phenoxy compound - Benzoyl - Phenol ether - N-arylamide - Aryl ketone - Aryl alkyl ketone - Alkyl aryl ether - Oxepane - Cyclohexenone - Fatty amide - Gamma butyrolactone - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Oxolane - Methyl ester - Amino acid or derivatives - Secondary alcohol - Lactone - Carboxamide group - Secondary carboxylic acid amide - 1,2-aminoalcohol - Ketone - Cyclic ketone - Carboxylic acid ester - Organoheterocyclic compound - Oxacycle - Secondary amine - Carboxylic acid derivative - Dialkyl ether - Secondary aliphatic amine - Oxirane - Ether - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Alcohol - Organooxygen compound - Amine - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as spironolactones and derivatives. These are steroid lactones with a structure based on the spironolactone skeleton.
External Descriptors
Not available