Mycochromone
Basic information
- CAS
71339-45-2- Standard SMILES
C=Cc1oc2cccc(O)c2c(=O)c1C(C(=O)OC)C(=O)OC- InChIKey
CJFIRBOMWZKLHJ-UHFFFAOYSA-N- Molecular formula
- C16H14O7
- Average molar mass
- 318.28 g/mol
- Monoisotopic mass
- 318.07395278
Overview
Mycochromone is a member of chromones.
Names & identifiers
- Preferred name
- Mycochromone
- IUPAC
- dimethyl 2-(2-ethenyl-5-hydroxy-4-oxochromen-3-yl)propanedioate
Names & synonyms
Mycochromone71339-45-2Dimethyl 2-(5-hydroxy-4-oxo-2-vinyl-4H-chromen-3-yl)malonatePropanedioic acid, (2-ethenyl-5-hydroxy-4-oxo-4H-1-benzopyran-3-yl)-,dimethyl esterGWU57SN6GJSCHEMBL31670257DTXSID20221533CHEBI:175074dimethyl 2-(2-ethenyl-5-hydroxy-4-oxochromen-3-yl)propanedioateAL-641/201760221,3-dimethyl 2-(2-ethenyl-5-hydroxy-4-oxo-4H-chromen-3-yl)propanedioateDimethyl (2-ethenyl-5-hydroxy-4-oxo-4H-1-benzopyran-3-yl)propanedioate
Show more names
Dimethyl 2-(2-ethenyl-5-oxidanyl-4-oxidanylidene-chromen-3-yl)propanedioate1,3-Dimethyl 2-(2-ethenyl-5-hydroxy-4-oxo-4H-1-benzopyran-3-yl)propanedioateDimethyl (2-ethenyl-5-hydroxy-4-oxo-4H-1-benzopyran-3-yl)propanedioate, 9CIPropanedioic acid, 2-(2-ethenyl-5-hydroxy-4-oxo-4H-1-benzopyran-3-yl)-, 1,3-dimethyl ester
Database identifiers
- CAS
71339-45-2- PubChem CID
- 5488563
- DTXSID
DTXSID20221533- ChEBI
CHEBI:175074- UNII
- GWU57SN6GJ
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 99.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 547
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Melting Point148 - 149 °C
Physical DescriptionSolid
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
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Related reactions
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Compound notes
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