General Information of the Compound
| Compound ID |
CP0399750
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2R,3S,4R,5R,6S)-2-Hydroxymethyl-6-[3-(3-methyl-benzyl)-phenyl]-tetrahydro-pyran-3,4,5-triol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H24O5
|
||||||||||||||||||
| Molecular Weight |
344.407
|
||||||||||||||||||
| Canonical SMILES |
Cc1cccc(Cc2cccc(c2)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H24O5/c1-12-4-2-5-13(8-12)9-14-6-3-7-15(10-14)20-19(24)18(23)17(22)16(11-21)25-20/h2-8,10,16-24H,9,11H2,1H3/t16-,17-,18+,19-,20+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GMIUHEOBZYBBHN-OBKDMQGPSA-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