General Information of the Compound
| Compound ID |
CP0482436
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-3-(4-hydroxy-3-methoxyphenyl)-1-phenylprop-2-en-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H14O3
|
||||||||||||||||||
| Molecular Weight |
254.285
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(\C=C\C(=O)c2ccccc2)ccc1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H14O3/c1-19-16-11-12(8-10-15(16)18)7-9-14(17)13-5-3-2-4-6-13/h2-11,18H,1H3/b9-7+
Show/Hide
|
||||||||||||||||||
| InChIKey |
SFDANOZEVFTUOG-VQHVLOKHSA-N
|
||||||||||||||||||
| CAS |
89406-16-6
|
||||||||||||||||||
| 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: PT01743, Polyunsaturated fatty acid 5-lipoxygenase
Protein ID: PT05494, Stromal cell-derived factor 1