Mansonone F
Basic information
- CAS
5090-88-0- Standard SMILES
CC1=COC2=C(C)C(=O)C(=O)c3c(C)ccc1c32- InChIKey
WSRLWSPFIOAYST-UHFFFAOYSA-N- Molecular formula
- C15H12O3
- Average molar mass
- 240.25 g/mol
- Monoisotopic mass
- 240.07864424
Overview
Mansonone F has been reported in Ulmus pumila, Ulmus glabra, and other organisms with data available.
Names & identifiers
- Preferred name
- Mansonone F
- IUPAC
- 4,8,12-trimethyl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8-pentaene-10,11-dione
- English name
- 3,6,9-Trimethylnaphtho[1,8-bc]pyran-7,8-dione
- Molecular formula
- C15H12O3
- Molecular weight
- 240.25
Names & synonyms
Mansonone F5090-88-0BZI06H42QB3,6,9-trimethylnaphtho[1,8-bc]pyran-7,8-dioneNSC-1131363,6,9-Trimethylnaphtho(1,8-bc)pyran-7,8-dione4,8,12-trimethyl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8-pentaene-10,11-dione4,8,12-trimethyl-2-oxatricyclo(7.3.1.05,13)trideca-1(12),3,5(13),6,8-pentaene-10,11-dioneRefChem:925298Naphtho[1,8-bc]pyran-7,8-dione, 3,6,9-trimethyl-Naphtho(1,8-bc)pyran-7,8-dione, 3,6,9-trimethyl-NSC 113136
Show more names
NSC113136
UNII-BZI06H42QBCHEMBL197655orb1701958SCHEMBL3397051WSRLWSPFIOAYST-UHFFFAOYSA-DTXSID20198933WSRLWSPFIOAYST-UHFFFAOYSA-NNaphtho(1,8-bc)pyran-7,8-dione, 3,6,9-trimethyl- (8CI)(9CI)
Database identifiers
- CAS
5090-88-0- PubChem CID
- 94304
- DTXSID
DTXSID20198933- ChEMBL
CHEMBL197655- UNII
- BZI06H42QB
- Nikkaji
- J13.435J
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 498
Physicochemical properties
- Melting point
- 214 · 214-215 °C
- Boiling point
- 436.5 · 436.5±45.0 °C(Predicted)
- Density
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- LogP
- 2.79 · 2.790 (est)
- FDA UNII
- 6 H42QB · BZI06H42QB
Chemistry & industry
Applications
UsesMansonone F is a potent anti-MRSA sesquiterpenoid quinone that can be found in Thespesia populnea[1].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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