General Information of the Compound
Compound ID
CP0462558
Compound Name
6,7'-oxybis(2-(4-hydroxyphenyl)-4H-chromen-4-one)
    Show/Hide
Structure
Formula
C30H18O7
Molecular Weight
490.467
Canonical SMILES
Oc1ccc(cc1)-c1cc(=O)c2cc(Oc3ccc4c(c3)oc(cc4=O)-c3ccc(O)cc3)ccc2o1
    Show/Hide
InChI
InChI=1S/C30H18O7/c31-19-5-1-17(2-6-19)28-16-26(34)24-13-21(10-12-27(24)36-28)35-22-9-11-23-25(33)15-29(37-30(23)14-22)18-3-7-20(32)8-4-18/h1-16,31-32H
    Show/Hide
InChIKey
PNFHRGKFNQMNJM-UHFFFAOYSA-N
Physicochemical Property
logP
6.4369
Rotatable Bonds
4
Heavy Atom Count
37
Polar Areas
110.11
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Complexity
37

"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: 44569853
ChEMBL ID
CHEMBL513357
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: PT01062, Prostaglandin G/H synthase 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000014 RAW 264.7 Mus musculus (Mouse)  1
1
IC50 > 50000 nM
   TI
   LI
   LO
   TS