General Information of the Compound
Compound ID
CP0570624
Compound Name
10-methyl-2,8-dioxopyrano[3,2-g]chromene-3,7-dicarboxylic acid
    Show/Hide
Structure
Formula
C15H8O8
Molecular Weight
316.221
Canonical SMILES
Cc1c2oc(=O)c(cc2cc2cc(C(O)=O)c(=O)oc12)C(O)=O
    Show/Hide
InChI
InChI=1S/C15H8O8/c1-5-10-6(3-8(12(16)17)14(20)22-10)2-7-4-9(13(18)19)15(21)23-11(5)7/h2-4H,1H3,(H,16,17)(H,18,19)
    Show/Hide
InChIKey
ZBLMKIMHBIVYMV-UHFFFAOYSA-N
Physicochemical Property
logP
1.60422
Rotatable Bonds
2
Heavy Atom Count
23
Polar Areas
135.02
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
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: 12533774
ChEMBL ID
CHEMBL4862654
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: PT03308, G-protein coupled receptor 35
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000007 HT-29 Homo sapiens (Human)  3
1
EC50 = 140 nM
   TI
   LI
   LO
   TS
2
IC50 = 42 nM
   TI
   LI
   LO
   TS
3
IC50 = 350 nM
   TI
   LI
   LO
   TS