General Information of the Compound
| Compound ID |
CP0388019
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3Z)-3-butylidene-5,7-dimethyl-2-benzofuran-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C14H16O2
|
||||||||||||||||||
| Molecular Weight |
216.28
|
||||||||||||||||||
| Canonical SMILES |
CCC\C=C1/OC(=O)c2c1cc(C)cc2C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H16O2/c1-4-5-6-12-11-8-9(2)7-10(3)13(11)14(15)16-12/h6-8H,4-5H2,1-3H3/b12-6-
Show/Hide
|
||||||||||||||||||
| InChIKey |
LCBSEHSZZUTWLF-SDQBBNPISA-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
Protein ID: PT02148, Transient receptor potential cation channel subfamily A member 1
Protein ID: PT05529, Transient receptor potential cation channel subfamily M member 8