General Information of the Compound
| Compound ID |
CP0188635
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzene-1,3-diol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H30O3
|
||||||||||||||||||
| Molecular Weight |
378.512
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(\C=C\c2cc(O)c(C\C=C(/C)CCC=C(C)C)c(O)c2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H30O3/c1-18(2)6-5-7-19(3)8-15-23-24(26)16-21(17-25(23)27)10-9-20-11-13-22(28-4)14-12-20/h6,8-14,16-17,26-27H,5,7,15H2,1-4H3/b10-9+,19-8+
Show/Hide
|
||||||||||||||||||
| InChIKey |
VXFJWJKQYHKUHT-VHMQBOTRSA-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