General Information of the Compound
| Compound ID |
CP0393582
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-Benzyl-5-methoxy-7-methylchromen-2-one
Show/Hide
|
||||||||||||||||||
| Synonyms |
3-Benzyl-5-methoxy-7-methylchromen-2-one
CHEMBL470199
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H16O3
|
||||||||||||||||||
| Molecular Weight |
280.323
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(C)cc2oc(=O)c(Cc3ccccc3)cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H16O3/c1-12-8-16(20-2)15-11-14(18(19)21-17(15)9-12)10-13-6-4-3-5-7-13/h3-9,11H,10H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
AOPKGUPAQXHRKK-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
Protein ID: PT06110, N-arachidonyl glycine receptor
Clinical Information about the Compound