General Information of the Compound
| Compound ID |
CP0451137
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-Benzo[1,3]dioxol-5-yl-4,6-dibutoxy-2H-chromene-3-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H28O7
|
||||||||||||||||||
| Molecular Weight |
440.492
|
||||||||||||||||||
| Canonical SMILES |
CCCCOC1=C(C(Oc2ccc(OCCCC)cc12)c1ccc2OCOc2c1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H28O7/c1-3-5-11-28-17-8-10-19-18(14-17)24(29-12-6-4-2)22(25(26)27)23(32-19)16-7-9-20-21(13-16)31-15-30-20/h7-10,13-14,23H,3-6,11-12,15H2,1-2H3,(H,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NHGFEGXMZQXXIS-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