General Information of the Compound
| Compound ID |
CP0476705
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-Benzo[1,3]dioxol-5-yl-6-butoxy-2-(2-methoxy-phenyl)-2H-chromene-3-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H26O7
|
||||||||||||||||||
| Molecular Weight |
474.509
|
||||||||||||||||||
| Canonical SMILES |
CCCCOc1ccc2OC(C(C(O)=O)=C(c3ccc4OCOc4c3)c2c1)c1ccccc1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H26O7/c1-3-4-13-32-18-10-12-22-20(15-18)25(17-9-11-23-24(14-17)34-16-33-23)26(28(29)30)27(35-22)19-7-5-6-8-21(19)31-2/h5-12,14-15,27H,3-4,13,16H2,1-2H3,(H,29,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XETRVUQLKYUODP-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