Compound Identification
SMILES
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.CC1=C(N(N=C1C(=O)NN1CCCCC1)C1=C(Cl)C=C(Cl)C=C1)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=POJMHNYAUDLTTJ-PUDZRVQSSA-N
Formula
C46H51Cl3N4O7
Mass
878.29
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
Phenylpyrazoles Pyrazole-5-carboxamides Dichlorobenzenes Oxepanes Cyclohexenones Piperidines Aryl chlorides Dicarboxylic acids and derivatives Gamma butyrolactones Oxolanes Methyl esters Heteroaromatic compounds Carboxylic acid hydrazides Oxacyclic compounds Azacyclic compounds Dialkyl ethers Epoxides Organonitrogen compounds Organic oxides Hydrocarbon derivatives Organochlorides
Molecular Framework
Not available
Substituents
Spironolactone - Phenylpyrazole - Pyrazole-5-carboxamide - 1,3-dichlorobenzene - Halobenzene - Cyclohexenone - Chlorobenzene - Oxepane - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Gamma butyrolactone - Dicarboxylic acid or derivatives - Benzenoid - Piperidine - Azole - Heteroaromatic compound - Oxolane - Methyl ester - Pyrazole - Carboxylic acid hydrazide - Cyclic ketone - Ketone - Lactone - Carboxylic acid ester - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Dialkyl ether - Oxirane - Ether - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organochloride - Organohalogen 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