Structure Information
Structure

Compound Identification

SMILES

C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@]2(O)C#C

InChIKey

InChIKey=CHNXZKVNWQUJIB-CEGNMAFCSA-N

Formula

C21H28O2

Mass

312.453

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Subclass

Androstane steroids

Intermediate Tree Nodes

Not available

Direct Parent

Androgens and derivatives

Alternative Parents

Molecular Framework

Aliphatic homopolycyclic compounds

Substituents

Androgen-skeleton - 3-oxo-delta-4-steroid - 3-oxosteroid - 17-hydroxysteroid - Oxosteroid - Hydroxysteroid - Delta-4-steroid - Cyclohexenone - Ynone - Tertiary alcohol - Cyclic alcohol - Cyclic ketone - Ketone - Acetylide - Organic oxygen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Alcohol - Organic oxide - Aliphatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as androgens and derivatives. These are 3-hydroxylated C19 steroid hormones. They are known to favor the development of masculine characteristics. They also show profound effects on scalp and body hair in humans.

External Descriptors

CHEBI:34749 : terminal acetylenic compound - tertiary alcohol - 3-oxo Delta(4)-steroid - 17beta-hydroxy steroid
KEGG (C14487) : Pregnane and derivatives [Fig]

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