General Information of the Compound
Compound ID
CP0417900
Compound Name
(R)(+)-7-methyl-2-phenylchroman-4-one
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Synonyms
(R)(+)-7-methyl-2-phenylchroman-4-one
(R)-7-methyl-2-phenylchroman-4-one
BDBM50310170
CHEMBL601844
FNOKOVWLKVWYRY-OAHLLOKOSA-N
SCHEMBL1895390
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Structure
Formula
C16H14O2
Molecular Weight
238.286
Canonical SMILES
Cc1ccc2C(=O)C[C@@H](Oc2c1)c1ccccc1
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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/t15-/m1/s1
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InChIKey
FNOKOVWLKVWYRY-OAHLLOKOSA-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: 46232081
ChEMBL ID
CHEMBL601844
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 = 140 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( (R)(+)-7-methyl-2-phenylchroman-4-one )
Drug Name (R)(+)-7-methyl-2-phenylchroman-4-one
Target(s)
Monoamine oxidase type B (MAO-B)
Inhibitor