alpha-zearalenol

Synonyms: "zearalenol", "trans-zearalenol", "alpha zearalenol", "cis-zearalenol", "alpha.-zearalenol"

Source: alpha-Zearalenol is the major hepatic metabolite in rats of the mycotoxin zearalenone.

Identifiers:

IUPAC Name: (2E,7R,11S)-7,15,17-trihydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),2,15,17-tetraen-13-one
CAS Number: 36455-72-8
PubChem ID: 5284645
InChiKey: FPQFYIAXQDXNOR-QDKLYSGJSA-N
Canonical SMILES: CC1CCCC(CCCC=CC2=CC(=CC(=C2C(=O)O1)O)O)O

Structural Properties:

Molecular Formula: C₁₈H₂₄O₅
Molecular Weight: 320.380

Pharmacophore Features:

Number of bond donors: 3
Number of bond acceptors: 4
Number of atoms different from hydrogen: 23

Downloads

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

Search Similar molecules

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

Minervini F, Dell'Aquila ME, Maritato F, Minoia P, Visconti A. 2001. Toxic effects of the mycotoxin zearalenone and its derivatives on in vitro maturation of bovine oocytes and 17 beta-estradiol levels in mural granulosa cell cultures. Toxicol in Vitro 15(4-5):489-495.