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#CC1=CC(CN(CC(O)=O)CC(O)=O)=NC(CN(CC(O)=O)CC(O)=O)=C1

InChIKey

InChIKey=ASNZLCSGYOKOKE-MXUGPSOYSA-N

Formula

C35H41N3O10

Mass

663.724

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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 - 17-hydroxysteroid - Hydroxysteroid - 3-hydroxysteroid - Phenanthrene - Tetracarboxylic acid or derivatives - Tetralin - Alpha-amino acid or derivatives - Alpha-amino acid - 6-substituted-2-pyridinylmethylamine - 2-pyridylmethylamine - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Benzenoid - Ynone - Pyridine - Heteroaromatic compound - Tertiary alcohol - Cyclic alcohol - Amino acid - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Alcohol - 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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