MetaADEDB 2.0 @ LMMD
ergosterol-5,8-peroxide
(VXOZCESVZIRHCJ-KGHQQZOUSA-N)
Structure
SMILES
O[C@H]1CC[C@]2([C@@]3(C1)OO[C@@]1([C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](/C=C/[C@@H](C(C)C)C)C)C)C=C3)C
Molecular Formula:
C28H44O3
Molecular Weight:
428.647
Log P:
6.4736
Hydrogen Bond Acceptor:
3
Hydrogen Bond Donor:
1
TPSA:
38.69
CAS Number(s):
2061-64-5
Synonym(s)
1.
ergosterol-5,8-peroxide
2.
3-hydroxy-5,7-epidioxyergosta-6,22-diene
3.
5,8-epidioxyergosta-6,22-dien-3-ol
4.
ergosterol endoperoxide
5.
ergosterol peroxide
External Link(s)
MeSHC036071
PubChem Compound5351516
BindingDB50334064
ChEBI65858
CHEMBLCHEMBL434750
ZINC38139718
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Bacterial Infections19475991CTD
2Neoplasms19475991CTD
3Prostatic Neoplasms20100469CTD
4Virus Diseases19475991CTD
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