General Information of the Compound
| Compound ID |
CP0482767
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3R,4S,5R)-4-hydroxy-3,5-bis[(3,4,5-trihydroxybenzoyl)oxy]cyclohexene-1-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H18O13
|
||||||||||||||||||
| Molecular Weight |
478.362
|
||||||||||||||||||
| Canonical SMILES |
O[C@H]1[C@@H](CC(=C[C@H]1OC(=O)c1cc(O)c(O)c(O)c1)C(O)=O)OC(=O)c1cc(O)c(O)c(O)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H18O13/c22-10-1-8(2-11(23)16(10)26)20(31)33-14-5-7(19(29)30)6-15(18(14)28)34-21(32)9-3-12(24)17(27)13(25)4-9/h1-5,14-15,18,22-28H,6H2,(H,29,30)/t14-,15-,18-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GASRJYBPBZZTBO-IIDMSEBBSA-N
|
||||||||||||||||||
| CAS |
95753-52-9
|
||||||||||||||||||
| 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: PT06670, Synaptojanin-1
Protein ID: PT06669, Synaptojanin-2