indenestrol A

Synonyms: "indenestrol", "indenoestrol A", "3-ethyl-2-(4-hydroxyphenyl)-1-methyl-1H-inden-6-ol", "3-ethyl-2-(p-hydroxyphenyl)-1-methylinden-6-ol", "inden-6-ol, 3-ethyl-2-(p-hydroxyphenyl)-1-methyl-"

Source: indenestrol A is a metabolite derived of diethylstilbestrol (DES).

Identifiers:

IUPAC Name: 1-ethyl-2-(4-hydroxyphenyl)-3-methyl-3H-inden-5-ol
CAS Number: 24643-97-8
PubChem ID: 107664
InChiKey: BBOUFHMHCBZYJJ-UHFFFAOYSA-N
Canonical SMILES: CCC1=C(C(C2=C1C=CC(=C2)O)C)C3=CC=C(C=C3)O

Structural Properties:

Molecular Formula: C₁₈H₁₈O₂
Molecular Weight: 266.334

Pharmacophore Features:

Number of bond donors: 2
Number of bond acceptors: 2
Number of atoms different from hydrogen: 20

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2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

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