5-O-Methylvisamminol
Basic information
- CAS
80681-42-1- Standard SMILES
COc1c2c(cc3oc(C)cc(=O)c13)O[C@H](C(C)(C)O)C2- InChIKey
DGFLRNOCLJGHLY-ZDUSSCGKSA-N- Molecular formula
- C16H18O5
- Average molar mass
- 290.31 g/mol
- Monoisotopic mass
- 290.11542367
Overview
5-O-Methylvisamminol is an organic heterotricyclic compound and an oxacycle.
Names & identifiers
- Preferred name
- 5-O-Methylvisamminol
- IUPAC
- (2S)-2-(2-hydroxypropan-2-yl)-4-methoxy-7-methyl-2,3-dihydrofuro[3,2-g]chromen-5-one
- English name
- 5-O-METHYLVISAMMINOL
- Molecular formula
- C16H18O5
- Molecular weight
- 290.31
Names & synonyms
5-O-Methylvisamminol80681-42-1(2S)-2-(2-hydroxypropan-2-yl)-4-methoxy-7-methyl-2,3-dihydrofuro[3,2-g]chromen-5-oneDTXSID10331695(2S)-2-(2-hydroxypropan-2-yl)-4-methoxy-7-methyl-2,3-dihydrofuro(3,2-g)chromen-5-oneRefChem:103320DTXCID60282789(S)-2-(2-Hydroxypropan-2-yl)-4-methoxy-7-methyl-2H-furo[3,2-g]chromen-5(3H)-one(2S)-2-(2-HYDROXYPROPAN-2-YL)-4-METHOXY-7-METHYL-2H,3H,5H-FURO[3,2-G]CHROMEN-5-ONE(S)-2-(2-hydroxypropan-2-yl)-4-methoxy-7-methyl-2,3-dihydro-5H-furo[3,2-g]chromen-5-oneMFCD09037392C09016
Show more names
R5-O-Methylvisamminol5-O-Methylvisamminol-RM(S)-(+)-5-O-methylvisamminol5-O-Methylvisamminol, 10 mM in DMSOinhibit,Inhibitor,5 O Methylvisamminol,5OMethylvisamminol(S)-2,3-Dihydro-2-(1-hydroxy-1-methylethyl)-4-methoxy-7-methyl-5H-furo[3,2-g][1]benzopyran-5-one5H-Furo[3,2-g][1]benzopyran-5-one, 2,3-dihydro-2-(1-hydroxy-1-methylethyl)-4-methoxy-7-methyl-, (2S)-
CHEBI:2110orb1297484orb3139228SCHEMBL47406895-O-Methylvisamminol (Standard)HY-N7206RHY-N7206LMPK13110002
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 469
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Aromatic polyketides [PK13] -> Benzopyranoids [PK1311]
Physicochemical properties
- Melting point
- 133 · 133-135℃
- Boiling point
- 480.6 · 480.6±45.0 °C(Predicted)
- Density
- 1.281 · 1.281±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- form
- Solid
- pka
- 14.25 · 14.25±0.29(Predicted)
- color
- Light yellow to yellow
- Major Application
- food and beverages
- InChI
- 1S/C16H18O5/c1-8-5-10(17)14-12(20-8)7-11-9(15(14)19-4)6-13(21-11)16(2,3)18/h5,7,13,18H,6H2,1-4H3/t13-/m0/s1
- InChIKey
- DGFLRNOCLJGHLY-ZDUSSCGKSA-N
- SMILES
- [o]1c2c([c](cc1C)=O)c(c3c(c2)O[C@@H](C3)C(O)(C)C)OC
- UNSPSC Code
- 41116107 · 41116107
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
Usesfood and beverages
Additional notes
DefinitionChEBI: 5-O-Methylvisamminol is an oxacycle and an organic heterotricyclic compound.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…