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Basic information
- CAS
484-89-9- Standard SMILES
COC1=C(O)C(=O)C(C)=CC1=O- InChIKey
GSNBWTFAGXSQCO-UHFFFAOYSA-N- Molecular formula
- C8H8O4
- Average molar mass
- 168.148 g/mol
- Monoisotopic mass
- 168.04225874
Names & identifiers
- Preferred name
- Fumigatin
- IUPAC
- 3-Hydroxy-2-methoxy-5-methylcyclohexa-2,5-diene-1,4-dione
- English name
- FUMIGATIN
- Molecular formula
- C8H8O4
- Molecular weight
- 168.15
Names & synonyms
3-Hydroxy-2-methoxy-5-methyl-1,4-benzoquinone2-Hydroxy-3-methoxy-6-methyl-1,4-benzenedione3-hydroxy-2-methoxy-5-methylcyclohexa-2,5-diene-1,4-dione3-Hydroxy-2-methoxy-5-methyl-2,5-cyclohexadiene-1,4-dione2,5-Cyclohexadiene-1,4-dione, 3-hydroxy-2-methoxy-5-methyl-
Database identifiers
- CAS
484-89-9- PubChem CID
- 119035
- DTXSID
DTXSID10197516- ChEBI
CHEBI:146171- UNII
- D4Y1CD8EH8
- Nikkaji
- J12.554G
Properties
Physicochemical properties
- Melting point
- 116 ° · 116°
- Boiling point
- 217.07 °C · 217.07°C (rough estimate)
- Density
- 1.1816 · 1.1816 (rough estimate)
- refractive index
- 1.4611 · 1.4611 (estimate)
- pka
- 3.48 · 3.48±0.50(Predicted)
- FDA UNII
- 4 Y1CD8EH8 · D4Y1CD8EH8
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers2 total
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
Additional notes
DefinitionChEBI: Fumigatin is a member of the class of monohydroxy-1,4-benzoquinones that is 1,4-benzoquinone which is substituted by a methoxy, hydroxy and methyl group at positions 2,3 and 5, respectively. It is a mycotoxin isolated from Aspergillus fumigatus. It has a role as an Aspergillus metabolite and a mycotoxin. It is functionally related to a 2,3-dihydroxy-5-methyl-1,4-benzoquinone.
Related reactions
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Compound notes
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