General Information of the Compound
| Compound ID |
CP0376857
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-methoxy-3-[(3-methylphenyl)methyl]-7-pentylchromen-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H26O3
|
||||||||||||||||||
| Molecular Weight |
350.458
|
||||||||||||||||||
| Canonical SMILES |
CCCCCc1cc(OC)c2cc(Cc3cccc(C)c3)c(=O)oc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H26O3/c1-4-5-6-9-18-13-21(25-3)20-15-19(23(24)26-22(20)14-18)12-17-10-7-8-16(2)11-17/h7-8,10-11,13-15H,4-6,9,12H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
QPKRAAIWDLDDGG-UHFFFAOYSA-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: PT01298, Cannabinoid receptor 1
Protein ID: PT00834, Cannabinoid receptor 2
Protein ID: PT05453, G-protein coupled receptor 55