Visammiol
Basic information
- CAS
492-52-4- Standard SMILES
Cc1cc(=O)c2c(O)c3c(cc2o1)OC(C(C)(C)O)C3- InChIKey
LJSWMDKKEBOERP-UHFFFAOYSA-N- Molecular formula
- C15H16O5
- Average molar mass
- 276.28 g/mol
- Monoisotopic mass
- 276.09977361
Overview
visamminol has been reported in Peucedanum japonicum, Actaea dahurica, and other organisms with data available.
Names & identifiers
- Preferred name
- Visammiol
- IUPAC
- 4-hydroxy-2-(2-hydroxypropan-2-yl)-7-methyl-2,3-dihydrofuro[3,2-g]chromen-5-one
- English name
- 2,3-Dihydro-4-hydroxy-2-(1-hydroxy-1-methylethyl)-7-methyl-5H-furo[3,2-g][1]benzopyran-5-one
- Molecular formula
- C15H16O5
- Molecular weight
- 276.28
Names & synonyms
492-52-4Visammiol2,3-Dihydro-4-hydroxy-2-(1-hydroxy-1-methylethyl)-7-methyl-5H-furo(3,2-g)(1)benzopyran-5-oneQG0CYI2V83UNII-QG0CYI2V835H-Furo(3,2-g)(1)benzopyran-5-one, 2,3-dihydro-4-hydroxy-2-(1-hydroxy-1-methylethyl)-7-methyl-2,3-Dihydro-4-hydroxy-2-(1-hydroxy-1-methylethyl)-7-methyl-5H-furo[3,2-g][1]benzopyran-5-oneRefChem:52979Visamminol4-hydroxy-2-(2-hydroxypropan-2-yl)-7-methyl-2,3-dihydrofuro[3,2-g]chromen-5-one4-Hydroxy-2-(2-hydroxypropan-2-yl)-7-methyl-2H-furo[3,2-g]chromen-5(3H)-one(+)-visamminol
Show more names
Visnamminol2,3-Dihydro-7-methyl-4-hydroxy-2-(1-hydroxy-1-methylethyl)-5H-furo[3,2-g][1]benzopyran-5-one5H-Furo[3,2-g][1]benzopyran-5-one, 2,3-dihydro-4-hydroxy-2-(1-hydroxy-1-methylethyl)-7-methyl-
orb1984105SCHEMBL15536844HY-N9910TN6943AKOS040763753C17838
Database identifiers
- CAS
492-52-4- PubChem CID
- 5315249
- UNII
- QG0CYI2V83
- Nikkaji
- J11.769B
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 455
Physicochemical properties
- Melting point
- 160 · 160-160.5 °C
- Boiling point
- 465.1 · 465.1±45.0 °C(Predicted)
- Density
- 1.375 · 1.375±0.06 g/cm3(Predicted)
- pka
- 6.67 · 6.67±0.60(Predicted)
- FDA UNII
- 0 CYI2V83 · QG0CYI2V83
Chemistry & industry
Applications
UsesVisamminol is a spasmolytic which can be extracted from Cimicifuga dahurica. Visamminol exhibits a spasmolytic action that is one-third as potent as that of papaverine hydrochloride[1].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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