Accession Number: pdtdbl00068

Details of the Ligand

Ligand Name : Ergosterol peroxide
Systematic Names : Ergosterol endoperoxide; Peroxyergosterol; Ergosterol peroxide; Ergosterol-5,8-peroxide
Molecular Formula : C28H44O3
Molecular Weight : g/mol
IUPAC Name : 5-[(3E)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.0¹,⁹.0²,⁶.0¹⁰,¹⁵]nonadec-18-en-13-ol
Canonical SMILES : CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C24C=CC5(C3(CCC(C5)O)C)OO4)C
Ligand Description :
Ergosterol peroxide is found in fruits. Ergosterol peroxide is obtained from leaves of Ananas comosus (pineapple). Ergosterol peroxide has been shown to exhibit anti-tumor and antibiotic functions. Ergosterol peroxide (5α,8α-epidioxy-22E-ergosta-6,22-dien-3β-ol) is a steroid derivative. It has been isolated from a variety of fungi, yeast, lichens and sponges, and has been reported to exhibit immunosuppressive, anti-inflammatory, antiviral, and antitumor activities in vitro. This compound belongs to the class of organic compounds known as ergostane steroids. These are steroids with a structure based on the ergostane skeleton, which arises from the methylation of cholestane at the 24-position.
Related Plants :
Pineapple
Ligand Related Dockings :
NA
Ligand References :
  1. https://en.wikipedia.org/wiki/Ergosterol_peroxide
  2. https://pubchem.ncbi.nlm.nih.gov/compound/5351516
  3. http://chem.sis.nlm.nih.gov/chemidplus/name/ergosterol%20peroxide
Ergosterol peroxide

Click the image to enlarge