Compound Identification
SMILES
NC(N)=NC(=O)C1=C(N)N=C(N)C(Cl)=N1.CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]33CCC(=O)O3)[C@H]12
InChIKey
InChIKey=GBNDFYODIQFLQS-FXFKJASFSA-N
Formula
C30H40ClN7O5S
Mass
646.2
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
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
3-oxo delta-4-steroids Delta-4-steroids Pyrazinecarboxamides Acylguanidines Aminopyrazines Cyclohexenones Aryl chlorides Gamma butyrolactones Imidolactams Vinylogous amides Oxolanes Heteroaromatic compounds Thioesters Amino acids and derivatives Carbothioic S-esters Carboxylic acid esters Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Carboximidamides Sulfenyl compounds Azacyclic compounds Monocarboxylic acids and derivatives Primary amines Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Spironolactone - 3-oxo-delta-4-steroid - 3-oxosteroid - Oxosteroid - Delta-4-steroid - Pyrazine carboxylic acid or derivatives - Pyrazinecarboxamide - Acylguanidine - Aminopyrazine - Cyclohexenone - Pyrazine - Gamma butyrolactone - Aryl halide - Aryl chloride - Imidolactam - Vinylogous amide - Oxolane - Heteroaromatic compound - Carboxylic acid ester - Lactone - Thiocarboxylic acid ester - Guanidine - Cyclic ketone - Ketone - Carbothioic s-ester - Amino acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Sulfenyl compound - Carboximidamide - Thiocarboxylic acid or derivatives - Monocarboxylic acid or derivatives - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organic oxygen compound - Primary amine - Organic oxide - Carbonyl group - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur 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