Structure Information
Structure

Compound Identification

SMILES

CC(=O)[C@H]1CC[C@H]2[C@@H]3[C@@H](CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)NCC#CCN1C=NC2=C1N=CN=C2N

InChIKey

InChIKey=YIFKHCXUTMLFCN-OAHLZKGISA-N

Formula

C31H38N6O3

Mass

542.684

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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-4-steroid - Oxosteroid - 3-oxosteroid - Delta-4-steroid - 2-naphthalenecarboxamide - 1-naphthalenecarboxamide - 6-aminopurine - Purine - Imidazopyrimidine - Aminopyrimidine - Cyclohexenone - Imidolactam - N-substituted imidazole - Pyrimidine - Heteroaromatic compound - Azole - Imidazole - Amino acid or derivatives - Carboxamide group - Cyclic ketone - Secondary carboxylic acid amide - Ketone - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organic oxide - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Amine - Primary amine - 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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