General Information of the Compound
Compound ID
CP0055377
Compound Name
2-(2,4-Dimethoxy-phenyl)-3,5,7-trimethoxy-chromen-4-one
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Synonyms
2',3,4',5,7-Pentamethoxy flavone
2-(2,4-Dimethoxy-phenyl)-3,5,7-trimethoxy-chromen-4-one
2-(2,4-Dimethoxyphenyl)-3,5,7-trimethoxy-4H-chromen-4-one #
2-(2,4-dimethoxyphenyl)-3,5,7-trimethoxychromen-4-one
3,5,7,2',4'-pentamethoxyflavone
4H-1-Benzopyran-4-one, 2-(2,4-dimethoxyphenyl)-3,5,7-trimethoxy-
7555-80-8
AC1LCIM3
AKOS030552861
BDBM50049399
CHEMBL75169
CTK2G8883
DTXSID80348154
Flavone, 2',3,4',5,7-pentamethoxy-
GTPL401
KPJGABLCRGWDRB-UHFFFAOYSA-N
MRS-923
MRS923
Pentamethyl morin
SCHEMBL1664225
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Structure
Formula
C20H20O7
Molecular Weight
372.373
Canonical SMILES
COc1ccc(c(OC)c1)-c1oc2cc(OC)cc(OC)c2c(=O)c1OC
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InChI
InChI=1S/C20H20O7/c1-22-11-6-7-13(14(8-11)24-3)19-20(26-5)18(21)17-15(25-4)9-12(23-2)10-16(17)27-19/h6-10H,1-5H3
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InChIKey
KPJGABLCRGWDRB-UHFFFAOYSA-N
Physicochemical Property
logP
3.503
Rotatable Bonds
6
Heavy Atom Count
27
Polar Areas
76.36
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
7
Complexity
27

"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: 631105
ChEMBL ID
CHEMBL75169
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 = 2650 nM
   TI
   LI
   LO
   TS
Protein ID: PT01546, ATP-dependent translocase ABCB1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000135 A2780ADR Homo sapiens (Human)  1
1
IC50 = 27100 nM
   TI
   LI
   LO
   TS
Protein ID: PT02718, Broad substrate specificity ATP-binding cassette transporter ABCG2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000036 MDCK-II Canis lupus familiaris (Dog)  2
1
IC50 = 5940 nM
   TI
   LI
   LO
   TS
2
IC50 = 5980 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( MRS923 )
Drug Name MRS923
Target(s)
Adenosine A2b receptor (ADORA2B)
Antagonist
Adenosine A1 receptor (ADORA1)
Antagonist