General Information of the Compound
Compound ID
CP0391196
Compound Name
7,4'-dimethoxyflavone
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Structure
Formula
C17H14O4
Molecular Weight
282.295
Canonical SMILES
COc1ccc(cc1)-c1cc(=O)c2ccc(OC)cc2o1
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InChI
InChI=1S/C17H14O4/c1-19-12-5-3-11(4-6-12)16-10-15(18)14-8-7-13(20-2)9-17(14)21-16/h3-10H,1-2H3
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InChIKey
LGTXUFBDCDFQIU-UHFFFAOYSA-N
Physicochemical Property
logP
3.4772
Rotatable Bonds
3
Heavy Atom Count
21
Polar Areas
48.67
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
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: 466269
SID: 15270304
ChEMBL ID
CHEMBL16442
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 = 49720 nM
   TI
   LI
   LO
   TS