General Information of the Compound
| Compound ID |
CP0471519
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(5R,7S,8R,9R,10S)-7-(3-(4-ethylbenzyl)-4-methylphenyl)-1,6-dioxaspiro[4.5]decane-8,9,10-triol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H30O5
|
||||||||||||||||||
| Molecular Weight |
398.499
|
||||||||||||||||||
| Canonical SMILES |
CCc1ccc(Cc2cc(ccc2C)[C@@H]2O[C@]3(CCCO3)[C@@H](O)[C@H](O)[C@H]2O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H30O5/c1-3-16-6-8-17(9-7-16)13-19-14-18(10-5-15(19)2)22-20(25)21(26)23(27)24(29-22)11-4-12-28-24/h5-10,14,20-23,25-27H,3-4,11-13H2,1-2H3/t20-,21-,22+,23+,24-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DDOXILQISMHBNE-URYYLNOGSA-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