Structure Information
Structure

Compound Identification

SMILES

CC(O)=O.C[C@]12CC[C@H]3[C@@H](CCC4=C3C=CC(O)=C4)[C@@H]1CCC2=O.CC1=C(N(CC2=CC=C(OCCN3CCCCCC3)C=C2)C2=C1C=C(O)C=C2)C1=CC=C(O)C=C1

InChIKey

InChIKey=PALFEMACPGOTCZ-CVOFAJGISA-N

Formula

C50H60N2O7

Mass

801.037

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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

Not available

Substituents

Estrogen-skeleton - 3-hydroxysteroid - Hydroxysteroid - 17-oxosteroid - Oxosteroid - 2-phenylindole - Phenanthrene - 2-phenylpyrrole - Tetralin - 3-methylindole - N-alkylindole - Hydroxyindole - 3-alkylindole - Indole - Indole or derivatives - Phenoxy compound - Phenol ether - Alkyl aryl ether - Azepane - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Substituted pyrrole - Monocyclic benzene moiety - Heteroaromatic compound - Pyrrole - Tertiary amine - Ketone - Tertiary aliphatic amine - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Ether - Carboxylic acid - Organooxygen compound - Amine - Organic oxygen compound - Carbonyl group - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - 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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