Structure via PubChem · Public domain (PubChem)
mellein
Sign in to saveAlso known as 3,4-dihydro-8-hydroxy-3-methyl-1H-2-benzopyran-1-one, 3,4-Dihydro-8-hydroxy-3-methyl-(1H)-2-benzopyran-1-one, 3,4-Dihydro-8-hydroxy-3-methylisocoumarin, Ochracin, 8-hydroxy-3-methylisochroman-1-one, (±)-mellein
Mellein is a dihydroisocoumarin, a phenolic compound produced by the mold species Aspergillus ochraceus.
Chemical data
- Formula
- C10H10O3
- Molecular weight
- 178.18 g/mol
- IUPAC name
- 8-hydroxy-3-methyl-3,4-dihydroisochromen-1-one
- SMILES
- CC1CC2=C(C(=CC=C2)O)C(=O)O1
- InChIKey
- KWILGNNWGSNMPA-UHFFFAOYSA-N
- XLogP
- 2.4
- Polar surface area
- 46.5 Ų
- H-bond donors
- 1
- H-bond acceptors
- 3
- Formal charge
- 0
via PubChem
Drug data · ChEMBL
- Molecule type
- Small molecule
via ChEMBL · EBI
Wikidata facts
- Subclass of
- chemical compound
- Mass
- 178.063
Show 3 more facts
- found in taxon
- Parastagonospora nodorum
- canonical SMILES
- CC1CC2=C(C(=CC=C2)O)C(=O)O1
- chemical formula
- C₁₀H₁₀O₃
Sources (1)
via Wikidata · CC0
~1 min read
Encyclopedic overview
2 sectionsContents
- Derivatives
- References
Mellein is a dihydroisocoumarin, a phenolic compound produced by the mold species Aspergillus ochraceus.
== Derivatives == 4-Hydroxymellein is also produced by Aspergillus ochraceus.
Excerpted from Wikipedia’s “mellein” article, available under the CC BY-SA 4.0 licence.