General Information of the Compound
Compound ID
CP0554509
Compound Name
7-methoxy-4-methyl-2-oxochromene-3-carboxylic acid
    Show/Hide
Structure
Formula
C12H10O5
Molecular Weight
234.207
Canonical SMILES
COc1ccc2c(C)c(C(O)=O)c(=O)oc2c1
    Show/Hide
InChI
InChI=1S/C12H10O5/c1-6-8-4-3-7(16-2)5-9(8)17-12(15)10(6)11(13)14/h3-5H,1-2H3,(H,13,14)
    Show/Hide
InChIKey
POKMINGWSPXHFR-UHFFFAOYSA-N
Physicochemical Property
logP
1.80822
Rotatable Bonds
2
Heavy Atom Count
17
Polar Areas
76.74
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
17

"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: 14954965
ChEMBL ID
CHEMBL2442507
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: PT06656, Monocarboxylate transporter 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000588 SiHa Homo sapiens (Human)  1
1
IC50 > 30000 nM
   TI
   LI
   LO
   TS