Structure Information
Structure

Compound Identification

SMILES

C[C@]12CCC3=C(C=CC4=C3C=CC(O)=C4)[C@@H]1CCC2=O

InChIKey

InChIKey=PDRGHUMCVRDZLQ-WMZOPIPTSA-N

Formula

C18H18O2

Mass

266.34

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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 homopolycyclic compounds

Substituents

Estrogen-skeleton - 3-hydroxy-delta-7-steroid - 3-hydroxysteroid - Hydroxysteroid - Oxosteroid - 17-oxosteroid - Delta-7-steroid - Phenanthrol - Phenanthrene - 2-naphthol - Naphthalene - Tetralin - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Ketone - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organooxygen compound - Aromatic homopolycyclic 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

CHEBI:34739 : 3-hydroxy steroid
LIPIDMAPS (LMST02010007) : C18 steroids (estrogens) and derivatives
KEGG (C14303) : Estrane and derivatives

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