Calystegine A3
Basic information
- CAS
131580-36-4- Standard SMILES
O[C@@H]1C[C@H]2CC[C@](O)(N2)[C@H]1O- InChIKey
XOCBOVUINUHZJA-MVIOUDGNSA-N- Molecular formula
- C7H13NO3
- Average molar mass
- 159.18 g/mol
- Monoisotopic mass
- 159.08954328
Overview
calystegine A3 has been reported in Hyoscyamus niger, Calystegia sepium, and other organisms with data available.
Names & identifiers
- Preferred name
- Calystegine A3
- IUPAC
- (1R,2S,3R,5R)-8-azabicyclo[3.2.1]octane-1,2,3-triol
- English name
- calystegine A3
- Molecular formula
- C7H13NO3
- Molecular weight
- 159.18
Names & synonyms
calystegine A3131580-36-4(1R,2S,3R,5R)-8-azabicyclo[3.2.1]octane-1,2,3-triolAVU6KBU3638-Azabicyclo[3.2.1]octane-1,2,3-triol, (1R,2S,3R,5R)-8-Azabicyclo(3.2.1)octane-1,2,3-triol, (1R,2S,3R,5R)-(1R,2S,3R,5R)-8-azabicyclo(3.2.1)octane-1,2,3-triolRefChem:123076(3R,4R)-8-azabicyclo(3.2.1)octane-3,4,5-triol(+)-Calystegine A38-Azabicyclo[3.2.1]octane-1,2,3-triolCHEMBL3233942
Show more names
Calystegin A3(+)-CalystegineA3
orb1990833SCHEMBL2441256GLXC-16424BDBM50002856HY-N10327AKOS040736012FS-6674MC45218
Database identifiers
- CAS
131580-36-4- PubChem CID
- 183073
- ChEMBL
CHEMBL3233942- UNII
- AVU6KBU363
- Nikkaji
- J890.605J
Properties
Computed structural properties
- XLogP
- -1.5
- Topological polar surface area
- 72.7 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 175
Physicochemical properties
- solubility
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- form
- Powder
Chemistry & industry
Applications
Uses(+)-Calystegine A3 is a natural product found in number of plant species such as in sprouts and tubers of potatoes. (+)-Calystegine A3 is used in the treatment of type 2 diabetes. Calystegine levels in potato cultivars subjected to wounding, light and heat treatments.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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