General Information of the Compound
| Compound ID |
CP0274319
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2E,4E,6Z)-7-(2-Ethoxy-3,5-diisopropyl-phenyl)-3-methyl-octa-2,4,6-trienoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H32O3
|
||||||||||||||||||
| Molecular Weight |
356.506
|
||||||||||||||||||
| Canonical SMILES |
CCOc1c(cc(cc1\C(C)=C/C=C/C(/C)=C/C(O)=O)C(C)C)C(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H32O3/c1-8-26-23-20(16(4)5)13-19(15(2)3)14-21(23)18(7)11-9-10-17(6)12-22(24)25/h9-16H,8H2,1-7H3,(H,24,25)/b10-9+,17-12+,18-11-
Show/Hide
|
||||||||||||||||||
| InChIKey |
HQROCOFWMCGIQB-IXGCMVFISA-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