General Information of the Compound
| Compound ID |
CP0406993
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(5-Butoxy-2-hydroxy-phenyl)-3-(3,4-dihydroxy-phenyl)-propenone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H20O5
|
||||||||||||||||||
| Molecular Weight |
328.364
|
||||||||||||||||||
| Canonical SMILES |
CCCCOc1ccc(O)c(c1)C(=O)\C=C\c1ccc(O)c(O)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H20O5/c1-2-3-10-24-14-6-9-17(21)15(12-14)16(20)7-4-13-5-8-18(22)19(23)11-13/h4-9,11-12,21-23H,2-3,10H2,1H3/b7-4+
Show/Hide
|
||||||||||||||||||
| InChIKey |
MLLIZPHLWSHASJ-QPJJXVBHSA-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