Structure Information
Structure

Compound Identification

SMILES

COC1=CC2=C(C=C1)C1CCC(C)(C=NCC3=CC=CC=N3)C(CC#N)C1CC2

InChIKey

InChIKey=PSQZHDVEFGSWBQ-UHFFFAOYSA-N

Formula

C25H29N3O

Mass

387.527

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Steroids and steroid derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Steroid - Hydrophenanthrene - Phenanthrene - Tetralin - Anisole - Phenol ether - Alkyl aryl ether - Pyridine - Benzenoid - Heteroaromatic compound - Shiff base - Aldimine - Ether - Carbonitrile - Nitrile - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Cyanide - Imine - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as steroids and steroid derivatives. These are compounds based on the cyclopenta[a]phenanthrene carbon skeleton, partially or completely hydrogenated; there are usually methyl groups at C-10 and C-13, and often an alkyl group at C-17. By extension, one or more bond scissions, ring expansions and/or ring contractions of the skeleton may have occurred.

External Descriptors

Not available

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