Structure Information
Structure

Compound Identification

SMILES

C[C@H]1CC2C3CC[C@](O)(C(=O)COC(=O)C4=CC(CN5CCN(C)CC5)=CC=C4)C3(C)CC(O)C2C2(C)C=CC(=O)C=C12

InChIKey

InChIKey=XWTZFNOOIGWCKQ-NLQKDJIQSA-N

Formula

C35H46N2O6

Mass

590.761

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Subclass

Pregnane steroids

Intermediate Tree Nodes

Not available

Direct Parent

Gluco/mineralocorticoids, progestogins and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Progestogin-skeleton - 20-oxosteroid - 3-oxo-delta-1,4-steroid - 3-oxosteroid - Hydroxysteroid - Oxosteroid - 17-hydroxysteroid - 11-hydroxysteroid - Delta-1,4-steroid - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Benzylamine - Phenylmethylamine - Aralkylamine - N-alkylpiperazine - N-methylpiperazine - Piperazine - Monocyclic benzene moiety - 1,4-diazinane - Benzenoid - Tertiary alcohol - Alpha-hydroxy ketone - Cyclic alcohol - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Amino acid or derivatives - Carboxylic acid ester - Cyclic ketone - Ketone - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Alcohol - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as gluco/mineralocorticoids, progestogins and derivatives. These are steroids with a structure based on a hydroxylated prostane moiety.

External Descriptors

Not available

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