General Information of the Compound
| Compound ID |
CP0425062
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8614195, 2g
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H36O9
|
||||||||||||||||||
| Molecular Weight |
564.631
|
||||||||||||||||||
| Canonical SMILES |
CCc1ccc(cc1Cc1ccc2OCCOc2c1)[C@@H]1O[C@H](COC(=O)OC(C)c2ccccc2)[C@@H](O)[C@H](O)[C@H]1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H36O9/c1-3-21-10-11-23(17-24(21)15-20-9-12-25-26(16-20)38-14-13-37-25)31-30(35)29(34)28(33)27(41-31)18-39-32(36)40-19(2)22-7-5-4-6-8-22/h4-12,16-17,19,27-31,33-35H,3,13-15,18H2,1-2H3/t19?,27-,28-,29+,30-,31+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
IDKOTNDFUFWDNK-YHWWFGFMSA-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