You are using an unsupported browser. Please upgrade your browser to a newer version to get the best experience on ClassyFire.
Structure Information
Structure

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.CCCCC1=NN(CC2=CN=C(C=C2)C2=CC=CC=C2C2=NNN=N2)C(CCCC)=N1

InChIKey

InChIKey=UJGQQECAQKBBTF-PUDZRVQSSA-N

Formula

C47H58N8O6

Mass

831.031

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

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

Molecular Framework

Not available

Substituents

Spironolactone - 2-phenylpyridine - Phenyltetrazole - Oxepane - Cyclohexenone - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Gamma butyrolactone - Pyridine - Benzenoid - Methyl ester - 1,2,4-triazole - Tetrazole - Heteroaromatic compound - Azole - Oxolane - Cyclic ketone - Carboxylic acid ester - Ketone - Lactone - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Oxirane - Ether - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen 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

Previous Back Next