General Information of the Compound
| Compound ID |
CP0416642
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-Hydroxy-4-(4-methoxy-benzyl)-3,5-bis-(4-methoxy-phenyl)-5H-furan-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H24O6
|
||||||||||||||||||
| Molecular Weight |
432.472
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(CC2=C(C(=O)OC2(O)c2ccc(OC)cc2)c2ccc(OC)cc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H24O6/c1-29-20-10-4-17(5-11-20)16-23-24(18-6-12-21(30-2)13-7-18)25(27)32-26(23,28)19-8-14-22(31-3)15-9-19/h4-15,28H,16H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
JCPFQTABMZGRMJ-UHFFFAOYSA-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: PT01783, Endothelin receptor type B
Protein ID: PT01372, Endothelin-1 receptor