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Basic information
- CAS
80443-12-5- Standard SMILES
C[C@@H]1O[C@@H](O[C@H]2C(=O)c3c(O)cc(O)cc3O[C@@H]2c2cc(O)c(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O- InChIKey
QMGYCEQXKDMHDB-JFWXUUDPSA-N- Molecular formula
- C21H22O12
- Average molar mass
- 466.395 g/mol
- Monoisotopic mass
- 466.11112614
Names & identifiers
- Preferred name
- 4H-1-Benzopyran-4-one, 3-((6-deoxy-alpha-L-mannopyranosyl)oxy)-2,3-dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-, (2R,3R)-
- IUPAC
- (2R,3R)-5,7-Dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl 6-deoxy-alpha-L-mannopyranoside
- English name
- 4H-1-Benzopyran-4-one, 3-[(6-deoxy-α-L-mannopyranosyl)oxy]-2,3-dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-, (2R,3R)-
- Molecular formula
- C21H22O12
- Molecular weight
- 466.39
Names & synonyms
AChE/BChE-IN-114H-1-Benzopyran-4-one, 3-[(6-deoxy-α-L-mannopyranosyl)oxy]-2,3-dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-, (2R,3R)-
Database identifiers
- CAS
80443-12-5- PubChem CID
- 157643
- DTXSID
DTXSID70230332- Nikkaji
- J1.727.706E
Properties
Physicochemical properties
- Boiling point
- 871.1 · 871.1±65.0 °C(Predicted)
- Density
- 1.82 · 1.82±0.1 g/cm3(Predicted)
- pka
- 7.33 · 7.33±0.60(Predicted)
Chemistry & industry
Applications
UsesAChE/BChE-IN-11 (compound 1) is a potent is a dual AChE and BChE inhibitor with IC50 values of 70 and 71 μM for AChE and BChE, respectively. AChE/BChE-IN-11 is a natural product that could be isolated from the leaf of artichoke . AChE/BChE-IN-11 can be used in research of Alzheimer’s disease (AD) research[1].
Suppliers1 total
武汉博欧特生物科技有限公司+44 (0)1223 859 353 · [email protected]
Related reactions
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Compound notes
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