General Information of the Compound
| Compound ID |
CP0389349
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[2-hydroxy-4-methyl-5-[(4-propan-2-yloxyphenyl)methyl]phenyl]thiane-3,4,5-triol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H30O6S
|
||||||||||||||||||
| Molecular Weight |
434.554
|
||||||||||||||||||
| Canonical SMILES |
CC(C)Oc1ccc(Cc2cc([C@@H]3S[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2C)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H30O6S/c1-12(2)29-16-6-4-14(5-7-16)9-15-10-17(18(25)8-13(15)3)23-22(28)21(27)20(26)19(11-24)30-23/h4-8,10,12,19-28H,9,11H2,1-3H3/t19-,20-,21+,22-,23+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZRJNSAKWAORJCP-ZQGJOIPISA-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