General Information of the Compound
Compound ID
CP0466317
Compound Name
2,8-dioxo-6-phenylpyrano[2,3-f]chromene-3,9-dicarboxylic acid
    Show/Hide
Structure
Formula
C20H10O8
Molecular Weight
378.292
Canonical SMILES
OC(=O)c1cc2cc(-c3ccccc3)c3oc(=O)c(cc3c2oc1=O)C(O)=O
    Show/Hide
InChI
InChI=1S/C20H10O8/c21-17(22)13-7-10-6-11(9-4-2-1-3-5-9)16-12(15(10)27-19(13)25)8-14(18(23)24)20(26)28-16/h1-8H,(H,21,22)(H,23,24)
    Show/Hide
InChIKey
UMNLBGZBVHTJDM-UHFFFAOYSA-N
Physicochemical Property
logP
2.9628
Rotatable Bonds
3
Heavy Atom Count
28
Polar Areas
135.02
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
28

"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: 154634328
ChEMBL ID
CHEMBL4856069
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 = 48 nM
   TI
   LI
   LO
   TS
2
IC50 = 16 nM
   TI
   LI
   LO
   TS
3
IC50 = 200 nM
   TI
   LI
   LO
   TS