Structure Information
Structure

Compound Identification

SMILES

COC1=C(O)C=C2C(C[C@H]3[C@@H]4CCC(=NO)[C@@]4(C)CC[C@@H]3C2=C1)=NOCC1=CC=C(C=C1)C(C)C

InChIKey

InChIKey=RQAFEWKTBPBXMN-JNHDWVHJSA-N

Formula

C29H36N2O4

Mass

476.617

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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 - Phenanthrene - P-cymene - Tetralin - Phenylpropane - Cumene - Anisole - Phenol ether - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Benzenoid - Monocyclic benzene moiety - Oxime - Ether - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - 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

Not available

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