General Information of the Compound
Compound ID
CP0921978
Compound Name
(+/-)-7-methyl-2-phenylchroman-4-one
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Synonyms
(+/-)-7-methyl-2-phenylchroman-4-one
4H-1-Benzopyran-4-one, 2,3-dihydro-7-methyl-2-phenyl-
64919-60-4
7-Methyl-2-phenyl-2,3-dihydro-4H-1-benzopyran-4-one
7-Methylflavanone
AKOS030552841
CHEMBL600392
CTK1I3915
DTXSID70502203
SCHEMBL1895393
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Structure
Formula
C16H14O2
Molecular Weight
238.286
Canonical SMILES
Cc1ccc2c(c1)OC(c1ccccc1)CC2=O
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InChI
InChI=1S/C16H14O2/c1-11-7-8-13-14(17)10-15(18-16(13)9-11)12-5-3-2-4-6-12/h2-9,15H,10H2,1H3
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InChIKey
FNOKOVWLKVWYRY-UHFFFAOYSA-N
Physicochemical Property
logP
3.70152
Rotatable Bonds
1
Heavy Atom Count
18
Polar Areas
26.3
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: 12549536
ChEMBL ID
CHEMBL600392
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 = 3620 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( (+/-)-7-methyl-2-phenylchroman-4-one )
Drug Name (+/-)-7-methyl-2-phenylchroman-4-one
Target(s)
Monoamine oxidase type B (MAO-B)
 Target Info 
Inhibitor