General Information of the Compound
Compound ID
CP0471238
Compound Name
3-[(E)-3-(4-hydroxyphenyl)-3-oxoprop-1-enyl]-5-methoxychromen-4-one
    Show/Hide
Structure
Formula
C19H14O5
Molecular Weight
322.316
Canonical SMILES
COc1cccc2occ(\C=C\C(=O)c3ccc(O)cc3)c(=O)c12
    Show/Hide
InChI
InChI=1S/C19H14O5/c1-23-16-3-2-4-17-18(16)19(22)13(11-24-17)7-10-15(21)12-5-8-14(20)9-6-12/h2-11,20H,1H3/b10-7+
    Show/Hide
InChIKey
IEYPLMKMSZZRSV-JXMROGBWSA-N
Physicochemical Property
logP
3.4033
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
76.74
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
24

"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: 71570038
SID: 163596685
ChEMBL ID
CHEMBL2316359
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: PT03737, Interleukin-5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000500 Y16 Mus musculus (Mouse)  1
1
IC50 > 30000 nM
   TI
   LI
   LO
   TS