General Information of the Compound
| Compound ID |
CP0119545
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-O-Methylembelin
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H28O4
|
||||||||||||||||||
| Molecular Weight |
308.418
|
||||||||||||||||||
| Canonical SMILES |
CCCCCCCCCCCC1=C(O)C(=O)C=C(OC)C1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H28O4/c1-3-4-5-6-7-8-9-10-11-12-14-17(20)15(19)13-16(22-2)18(14)21/h13,20H,3-12H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
KHBJLRRAMCJZLZ-UHFFFAOYSA-N
|
||||||||||||||||||
| CAS |
56005-10-8
|
||||||||||||||||||
| 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: PT05648, Macrophage-expressed gene 1 protein
Protein ID: PT01242, Polyunsaturated fatty acid 5-lipoxygenase