Structure Information
Structure

Compound Identification

SMILES

CO[C@H]1C[C@H](C)CC2=C(NCC#CCC[C@@H]3C[C@H]4[C@@H]5CCc6cc(O)ccc6[C@H]5CC[C@]4(C)[C@H]3O)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O

InChIKey

InChIKey=ICPLDAGNUBFYDI-RRMLGFFMSA-N

Formula

C51H67N3O10

Mass

882.108

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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 - Macrolactam - Cyclohexylphenol - Tetralin - 1-hydroxy-2-unsubstituted benzenoid - Alpha-branched alpha,beta-unsaturated-ketone - Benzenoid - N-acyl-amine - Vinylogous amide - Alpha,beta-unsaturated ketone - Carbamic acid ester - Enone - Cyclic alcohol - Acryloyl-group - Cyclic ketone - Secondary alcohol - Carbonic acid derivative - Lactam - Ketone - Carboxamide group - Amino acid or derivatives - Haloacetylene or derivatives - Azacycle - Organoheterocyclic compound - Secondary amine - Ether - Secondary aliphatic amine - Dialkyl ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - 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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