General Information of the Compound
| Compound ID |
CP0416709
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-Benzo[1,3]dioxol-5-yl-4-benzyl-5-(2,4-dimethoxy-phenyl)-5-hydroxy-5H-furan-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H22O7
|
||||||||||||||||||
| Molecular Weight |
446.455
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(c(OC)c1)C1(O)OC(=O)C(=C1Cc1ccccc1)c1ccc2OCOc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H22O7/c1-29-18-9-10-19(22(14-18)30-2)26(28)20(12-16-6-4-3-5-7-16)24(25(27)33-26)17-8-11-21-23(13-17)32-15-31-21/h3-11,13-14,28H,12,15H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
MAGGKBPCDJALCG-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