Compound Identification
SMILES
C[C@]12CCC3[C@H]([C@@H]1CC[C@@]21CCC(=O)O1)[C@H](S)CC1=CC(=O)CC[C@]31C.CCCCC1=NN(CC2=CN=C(C=C2)C2=CC=CC=C2C2=NNN=N2)C(CCCC)=N1
InChIKey
InChIKey=QUFBYAOJXWNDQU-PDWHQARUSA-N
Formula
C45H58N8O3S
Mass
791.07
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
-
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 Phenylpyridines Phenyltetrazoles and derivatives Cyclohexenones Benzene and substituted derivatives Gamma butyrolactones Triazoles Oxolanes Heteroaromatic compounds Carboxylic acid esters Oxacyclic compounds Alkylthiols Azacyclic compounds Monocarboxylic acids and derivatives Organic oxides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Spironolactone - 3-oxo-delta-4-steroid - 3-oxosteroid - Oxosteroid - Delta-4-steroid - 2-phenylpyridine - Phenyltetrazole - Cyclohexenone - Monocyclic benzene moiety - Benzenoid - Pyridine - Gamma butyrolactone - Heteroaromatic compound - Azole - 1,2,4-triazole - Tetrazole - Oxolane - Carboxylic acid ester - Cyclic ketone - Ketone - Lactone - Alkylthiol - Oxacycle - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Organosulfur compound - Organooxygen compound - Hydrocarbon derivative - 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