Structure Information
Structure

Compound Identification

SMILES

CCC1=C(O)C=C2CCC3C4[C@H](CCCC(=O)NC5=NC=C(C)S5)CC(=O)[C@@]4(C)CCC3C2=C1

InChIKey

InChIKey=KGYJKPJMOXYPPL-BWUNHEHZSA-N

Formula

C28H36N2O3S

Mass

480.67

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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 heteropolycyclic compounds

Substituents

Estrogen-skeleton - 3-hydroxysteroid - Hydroxysteroid - 17-oxosteroid - Oxosteroid - Phenanthrene - Tetralin - N-arylamide - Phenol - 2,5-disubstituted 1,3-thiazole - 1-hydroxy-2-unsubstituted benzenoid - Fatty acyl - Benzenoid - Fatty amide - Heteroaromatic compound - Azole - Thiazole - Secondary carboxylic acid amide - Carboxamide group - Ketone - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organic oxygen compound - Organonitrogen compound - Aromatic heteropolycyclic 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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