Basic information
- CAS
13410-15-6- Standard SMILES
COc1cc(O)c2c(c1)CC(C)OC2=O- InChIKey
AIFNAMVERSBWPS-UHFFFAOYSA-N- Molecular formula
- C11H12O4
- Average molar mass
- 208.21 g/mol
- Monoisotopic mass
- 208.07355886
Overview
6-methoxymellein is an isochromane that is mellein bearing a methoxy substituent at position 6. It is functionally related to a mellein.
Names & identifiers
- Preferred name
- 3,4-Dihydro-8-hydroxy-6-methoxy-3-methyl-1H-2-benzopyran-1-one
- IUPAC
- 8-hydroxy-6-methoxy-3-methyl-3,4-dihydroisochromen-1-one
- English name
- 8-Hydroxy-6-methoxy-3-methylisochroman-1-one
- Molecular formula
- C11H12O4
- Molecular weight
- 0
Names & synonyms
6803-02-76-Mhmd-isocoumarin6-Methoxy-8-hydroxy-3-methyl-3,4-dihydroisocoumarin2,4-Dihydro-8-hydroxy-6-methoxy-3-methyl-1H-2-benzopyran-1-one3,4-Dihydro-8-hydroxy-6-methoxy-3-methyl-1H-2-benzopyran-1-oneRefChem:9106158-Hydroxy-6-methoxy-3-methylisochroman-1-one8-hydroxy-6-methoxy-3-methyl-3,4-dihydroisochromen-1-one1H-2-Benzopyran-1-one, 3,4-dihydro-8-hydroxy-6-methoxy-3-methyl-Antibiotic LL-N313aLL-N313a8-Hydroxy-6-methoxy-3-methyl-3,4-dihydro-1H-isochromen-1-one #
Show more names
Methoxymellein3-Methyl-6-methoxy-8-hydroxyisochroman-1-one3-Methyl-6-methoxy-8-hydroxy-3,4-dihydroisocoumarin
MEGxm0_000234SCHEMBL3366271BS-1155I83636F579324Q46415443,4-dihydro-8-hydroxy-6-methoxy-3-methylisocoumarin8-Hydroxy-6-methoxy-3-methyl-3,4-dihydroisocoumarin
Database identifiers
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 253
Experimental & physicochemical properties
Melting Point75 - 76 °C
Physical DescriptionSolid
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Suppliers2 total
北京珐默兹医药科技有限公司010-80339217; 13331045123 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Additional notes
DefinitionChEBI: An isochromane that is mellein bearing a methoxy substituent at position 6.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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