Basic information
- CAS
146446-05-1- Standard SMILES
C/C=C(\C)c1ccc(C)c(=O)o1- InChIKey
FEEGMVBAILJAQO-QPJJXVBHSA-N- Molecular formula
- C10H12O2
- Average molar mass
- 164.2 g/mol
- Monoisotopic mass
- 164.08372962
Overview
Gibepyrone A is a member of the class of 2-pyranones that is 2H-pyran-2-one in which the hydrogens at positions 3 and 6 are replaced by methyl and (2E)-2-buten-2-yl groups, respectively. It is a mycotoxin produced by the rice pathogen Fusarium fujikuroi. It has a role as a mycotoxin and an antibacterial agent. It is a polyketide, a member of 2-pyranones, an olefinic compound and an antibiotic antifungal agent.
Names & identifiers
- Preferred name
- Gibepyrone A
- IUPAC
- 6-[(E)-but-2-en-2-yl]-3-methylpyran-2-one
Names & synonyms
Gibepyrone AA5Q9UJ9CFR146446-05-16-((E)-But-2-en-2-yl)-3-methylpyran-2-oneCHEBI:1563636-[(E)-but-2-en-2-yl]-3-methylpyran-2-oneRefChem:1085782Fusalanipyrone , (E)-UNII-A5Q9UJ9CFR3-Methyl-6-((1E)-1-methyl-1-propen-1-yl)-2H-pyran-2-one2H-Pyran-2-one, 3-methyl-6-((1E)-1-methyl-1-propen-1-yl)-6-[(2E)-2-Buten-2-yl]-3-methyl-2H-pyran-2-one
Show more names
InChI=1/C10H12O2/c1-4-7(2)9-6-5-8(3)10(11)12-9/h4-6H,1-3H3/b7-4
Database identifiers
- CAS
146446-05-1- PubChem CID
- 10103478
- ChEBI
CHEBI:156363- UNII
- A5Q9UJ9CFR
- Nikkaji
- J1.698.823E、J2.367.246D
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 293
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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