General Information of the Compound
Compound ID
CP0504869
Compound Name
5,6,7-Trimethyl-2-p-tolyl-chromen-4-one
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Synonyms
4',5,6,7-Tetramethylflavone
5,6,7-Trimethyl-2-p-tolyl-chromen-4-one
CHEMBL168080
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Structure
Formula
C19H18O2
Molecular Weight
278.351
Canonical SMILES
Cc1ccc(cc1)-c1cc(=O)c2c(C)c(C)c(C)cc2o1
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InChI
InChI=1S/C19H18O2/c1-11-5-7-15(8-6-11)17-10-16(20)19-14(4)13(3)12(2)9-18(19)21-17/h5-10H,1-4H3
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InChIKey
CMMLREBGPOOVPU-UHFFFAOYSA-N
Physicochemical Property
logP
4.69368
Rotatable Bonds
1
Heavy Atom Count
21
Polar Areas
30.21
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
21

"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: 44378768
ChEMBL ID
CHEMBL168080
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: PT01279, Adenosine receptor A3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 4480 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 5,6,7-Trimethyl-2-p-tolyl-chromen-4-one )
Drug Name 5,6,7-Trimethyl-2-p-tolyl-chromen-4-one
Target(s)
Adenosine A3 receptor (ADORA3)
Inhibitor