General Information of the Compound
Compound ID
CP0466477
Compound Name
5-methoxy-3-(2-methoxybenzyl)-7-methyl-2H-chromen-2-one
    Show/Hide
Structure
Formula
C19H18O4
Molecular Weight
310.349
Canonical SMILES
COc1ccccc1Cc1cc2c(OC)cc(C)cc2oc1=O
    Show/Hide
InChI
InChI=1S/C19H18O4/c1-12-8-17(22-3)15-11-14(19(20)23-18(15)9-12)10-13-6-4-5-7-16(13)21-2/h4-9,11H,10H2,1-3H3
    Show/Hide
InChIKey
OTEMHRZNNDODDW-UHFFFAOYSA-N
Physicochemical Property
logP
3.70942
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
48.67
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
23

"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
CID: 16067267
SID: 24708843
ChEMBL ID
CHEMBL471248
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: PT00834, Cannabinoid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 1030 nM
   TI
   LI
   LO
   TS