General Information of the Compound
| Compound ID |
CP0397375
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-Benzo[1,3]dioxol-5-yl-4-(3,4-dimethoxy-benzyl)-5-hydroxy-5-(4-methoxy-phenyl)-5H-furan-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H24O8
|
||||||||||||||||||
| Molecular Weight |
476.481
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1ccc(OC)c(OC)c1)c1ccc2OCOc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H24O8/c1-30-19-8-6-18(7-9-19)27(29)20(12-16-4-10-21(31-2)23(13-16)32-3)25(26(28)35-27)17-5-11-22-24(14-17)34-15-33-22/h4-11,13-14,29H,12,15H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
JOFLWUQNEHCQRX-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