Compound Identification
SMILES
CCOC1=CC=CC=C1OCCN[C@H](C)CC1=CC(=C(OC)C=C1)S(N)(=O)=O.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=ISGHPOOIHBUSEX-DWAWZPIGSA-N
Formula
C44H58N2O11S
Mass
823.01
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
Benzenesulfonamides Amphetamines and derivatives Phenylpropanes Benzenesulfonyl compounds Phenoxy compounds Anisoles Methoxybenzenes Cyclohexenones Oxepanes Aralkylamines Alkyl aryl ethers Dicarboxylic acids and derivatives Gamma butyrolactones Organosulfonamides Oxolanes Aminosulfonyl compounds Methyl esters Oxacyclic compounds Epoxides Dialkyl ethers Dialkylamines Hydrocarbon derivatives Organic oxides
Molecular Framework
Not available
Substituents
Spironolactone - Amphetamine or derivatives - Benzenesulfonamide - Benzenesulfonyl group - Phenylpropane - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Cyclohexenone - Oxepane - Aralkylamine - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Gamma butyrolactone - Benzenoid - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Methyl ester - Aminosulfonyl compound - Sulfonyl - Oxolane - Organosulfonic acid or derivatives - Cyclic ketone - Carboxylic acid ester - Ketone - Lactone - Secondary amine - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Dialkyl ether - Secondary aliphatic amine - Oxirane - Ether - Organosulfur compound - Organic oxide - Organic nitrogen compound - Amine - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - 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