General Information of the Compound
Compound ID
CP0475783
Compound Name
7-Methoxy-2-p-tolyl-chromen-4-one
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Synonyms
108980-49-0
2-(4-Methylphenyl)-7-methoxy-4H-1-benzopyran-4-one
7-Methoxy-2-p-tolyl-chromen-4-one
7-methoxy-2-(4-methylphenyl)-4H-chromen-4-one
7-methoxy-2-(4-methylphenyl)chromen-4-one
7-methoxy-2-(p-tolyl)-4H-chromen-4-one
7-methoxy-2-p-tolyl-4H-chromen-4-one
AB01311569-01
AC1LIGD7
AKOS002182021
BDBM50310185
CHEMBL17052
MCULE-3043616847
MolPort-000-450-862
NCGC00318207-01
ST50070846
STK893155
VU0510077-1
ZINC522064
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Structure
Formula
C17H14O3
Molecular Weight
266.296
Canonical SMILES
COc1ccc2c(c1)oc(cc2=O)-c1ccc(C)cc1
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InChI
InChI=1S/C17H14O3/c1-11-3-5-12(6-4-11)16-10-15(18)14-8-7-13(19-2)9-17(14)20-16/h3-10H,1-2H3
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InChIKey
OBNQAKAHHNLJHT-UHFFFAOYSA-N
Physicochemical Property
logP
3.77702
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
39.44
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
20

"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).

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PubChem ID
CID: 930709
ChEMBL ID
CHEMBL17052
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: PT01362, Amine oxidase [flavin-containing] B
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000023 BTI-Tn-5B1-4
 Cell Line Info 
Trichoplusia ni (Cabbage looper)  1
1
IC50 = 11340 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 7-methoxy-2-p-tolyl-4H-chromen-4-one )
Drug Name 7-methoxy-2-p-tolyl-4H-chromen-4-one
Target(s)
Monoamine oxidase type B (MAO-B)
 Target Info 
Inhibitor