General Information of the Compound
| Compound ID |
CP0125657
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-[(E)-2-(furan-3-yl)ethenyl]benzene-1,3-diol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H26O3
|
||||||||||||||||||
| Molecular Weight |
338.447
|
||||||||||||||||||
| Canonical SMILES |
CC(C)=CCC\C(C)=C\Cc1c(O)cc(\C=C\c2ccoc2)cc1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H26O3/c1-16(2)5-4-6-17(3)7-10-20-21(23)13-19(14-22(20)24)9-8-18-11-12-25-15-18/h5,7-9,11-15,23-24H,4,6,10H2,1-3H3/b9-8+,17-7+
Show/Hide
|
||||||||||||||||||
| InChIKey |
GFHDVIXMSPECPG-MZYNZGBKSA-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