General Information of the Compound
| Compound ID |
CP0540352
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-Benzo[1,3]dioxol-5-yl-6-butoxy-2-(4-butoxy-phenyl)-2H-chromene-3-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H32O7
|
||||||||||||||||||
| Molecular Weight |
516.59
|
||||||||||||||||||
| Canonical SMILES |
CCCCOc1ccc(cc1)C1Oc2ccc(OCCCC)cc2C(=C1C(O)=O)c1ccc2OCOc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H32O7/c1-3-5-15-34-22-10-7-20(8-11-22)30-29(31(32)33)28(21-9-13-26-27(17-21)37-19-36-26)24-18-23(35-16-6-4-2)12-14-25(24)38-30/h7-14,17-18,30H,3-6,15-16,19H2,1-2H3,(H,32,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XFVWMBBWQKJMOS-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