Structure Information
Structure

Compound Identification

SMILES

CCC1=C(CC2=CC(C)=CC(C)=C2)N(COCC2=CC=C(C=C2)C#C[C@@]2(O)CC[C@@H]3[C@H]4CCC5=CC(=O)CC[C@H]5[C@@H]4CC[C@@]23CC)C(=O)NC1=O

InChIKey

InChIKey=ZEWMITGOOOKYQY-MDXAPUPWSA-N

Formula

C44H52N2O5

Mass

688.909

Export to:

JSON SDF CSV

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-oxo-delta-4-steroid - 3-oxosteroid - Hydroxysteroid - Oxosteroid - 17-hydroxysteroid - Delta-4-steroid - M-xylene - Xylene - Cyclohexenone - Pyrimidone - Monocyclic benzene moiety - Hydropyrimidine - Pyrimidine - Benzenoid - Ynone - Cyclic alcohol - Heteroaromatic compound - Vinylogous amide - Tertiary alcohol - Lactam - Ketone - Cyclic ketone - Urea - Organoheterocyclic compound - Azacycle - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - 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

Previous Back Next