General Information of the Compound
| Compound ID |
CP0435397
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[2-Hydroxy-4-methyl-6-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-phenyl]-3-thiophen-3-yl-propan-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H24O8S
|
||||||||||||||||||
| Molecular Weight |
424.471
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(O)c(C(=O)CCc2ccsc2)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H24O8S/c1-10-6-13(23)16(12(22)3-2-11-4-5-29-9-11)14(7-10)27-20-19(26)18(25)17(24)15(8-21)28-20/h4-7,9,15,17-21,23-26H,2-3,8H2,1H3/t15-,17-,18+,19-,20-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CLRQMIQNMTYMGA-XIKSMUEASA-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