indenestrol B

Synonyms: "indenoestrol B", "(-)-indenestrol B", "1-ethyl-2-(4-hydroxyphenyl)-3-methyl-1H-inden-5-ol"

Source: indenestrol B is a metabolite of diethylstilbestrol (DES), a potent synthetic estrogen.

Identifiers:

IUPAC Name: 1-ethyl-2-(4-hydroxyphenyl)-3-methyl-1H-inden-5-ol
CAS Number: 38028-27-2
PubChem ID: 114716
InChiKey: HJVFIQKBLPQQDY-UHFFFAOYSA-N
Canonical SMILES: CCC1C2=C(C=C(C=C2)O)C(=C1C3=CC=C(C=C3)O)C

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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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Soto AM, Sonnenschein C, Chung KL, Fernandez MF, Olea N, Serrano FO. 1995. The E-SCREEN assay as a tool to identify estrogens: An update on estrogenic environmental pollutants. Environ Health Perspect 103 (Suppl. 7):113-122.