Structure Information
Structure

Compound Identification

SMILES

C[C@]12CC[C@H]3[C@@H](CCC4=C3C=CC(O)=C4)[C@@H]1CC[C@@]2(O)C#C

InChIKey

InChIKey=BFPYWIDHMRZLRN-SLHNCBLASA-N

Formula

C20H24O2

Mass

296.41

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Subclass

Estrane steroids

Intermediate Tree Nodes

Not available

Direct Parent

Estrogens and derivatives

Alternative Parents

Molecular Framework

Aromatic homopolycyclic compounds

Substituents

Estrogen-skeleton - 3-hydroxysteroid - Hydroxysteroid - 17-hydroxysteroid - Phenanthrene - Tetralin - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Ynone - Cyclic alcohol - Tertiary alcohol - Acetylide - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Alcohol - Aromatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as estrogens and derivatives. These are steroids with a structure containing a 3-hydroxylated estrane.

External Descriptors

CHEBI:4903 : terminal acetylenic compound - 17-hydroxy steroid - 3-hydroxy steroid
LIPIDMAPS (LMST02010036) : C18 steroids (estrogens) and derivatives
KEGG (C07534) : C18 steroids (estrogens) and derivatives

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