General Information of the Compound
Compound ID
CP0120548
Compound Name
2-p-Tolyl-chromen-4-one
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Synonyms
2-(4-methylphenyl)-4H-chromen-4-one
2-(4-methylphenyl)chromen-4-one
2-(p-tolyl)-chromen-4-one
2-p-Tolyl-chromen-4-one
2-p-tolyl-4H-chromen-4-one
4'-Methylflavon
4'-Methylflavone
41255-30-5
4H-1-Benzopyran-4-one, 2-(4-methylphenyl)-
4hlk
AC1LEMVU
AG-690/13115015
AKOS000603601
BAS 01121718
BDBM50310190
CHEMBL16861
HMS1439L02
IDI1_014447
MCULE-3669298263
Maybridge3_003060
MolPort-000-648-141
NS-00120
OPHKKQQCOYMLPW-UHFFFAOYSA-N
Oprea1_528340
Oprea1_754899
SCHEMBL7593917
ST093690
ZINC57876
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Structure
Formula
C16H12O2
Molecular Weight
236.27
Canonical SMILES
Cc1ccc(cc1)-c1cc(=O)c2ccccc2o1
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InChI
InChI=1S/C16H12O2/c1-11-6-8-12(9-7-11)16-10-14(17)13-4-2-3-5-15(13)18-16/h2-10H,1H3
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InChIKey
OPHKKQQCOYMLPW-UHFFFAOYSA-N
Physicochemical Property
logP
3.76842
Rotatable Bonds
1
Heavy Atom Count
18
Polar Areas
30.21
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
18

"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: 688829
SID: 15489322
ChEMBL ID
CHEMBL16861
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
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000023 BTI-Tn-5B1-4 Trichoplusia ni (Cabbage looper)  1
1
IC50 = 2380 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 2-p-tolyl-4H-chromen-4-one )
Drug Name 2-p-tolyl-4H-chromen-4-one
Target(s)
Monoamine oxidase type B (MAO-B)
Inhibitor