General Information of the Compound
Compound ID
CP0393608
Compound Name
7-methoxy-3-methylchromen-2-one
    Show/Hide
Structure
Formula
C11H10O3
Molecular Weight
190.198
Canonical SMILES
COc1ccc2cc(C)c(=O)oc2c1
    Show/Hide
InChI
InChI=1S/C11H10O3/c1-7-5-8-3-4-9(13-2)6-10(8)14-11(7)12/h3-6H,1-2H3
    Show/Hide
InChIKey
LMFMSNMYCXCPRY-UHFFFAOYSA-N
Physicochemical Property
logP
2.11002
Rotatable Bonds
1
Heavy Atom Count
14
Polar Areas
39.44
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
14

"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: 11321422
SID: 16411003
ChEMBL ID
CHEMBL470197
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 >= 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT05453, G-protein coupled receptor 55
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS