General Information of the Compound
| Compound ID |
CP0475790
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1S,3'R,4'S,5'S,6'R)-5-chloro-6-(4-ethoxybenzyl)-6'-(hydroxymethyl)-3',4',5',6'-tetrahydro-3H-spiro[isobenzofuran-1,2'-pyran]-3',4',5'-triol
Show/Hide
|
||||||||||||||||||
| Synonyms |
BDBM50303240
CHEMBL565784
O-spiroketal glucoside
SCHEMBL1317722
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H25ClO7
|
||||||||||||||||||
| Molecular Weight |
436.888
|
||||||||||||||||||
| Canonical SMILES |
CCOc1ccc(Cc2cc3c(CO[C@]33O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2Cl)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H25ClO7/c1-2-28-15-5-3-12(4-6-15)7-13-8-16-14(9-17(13)23)11-29-22(16)21(27)20(26)19(25)18(10-24)30-22/h3-6,8-9,18-21,24-27H,2,7,10-11H2,1H3/t18-,19-,20+,21-,22+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WUEOKKVPVLUFPP-BDHVOXNPSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT03804, Sodium/glucose cotransporter 1
Protein ID: PT02415, Sodium/glucose cotransporter 2
Clinical Information about the Compound