General Information of the Compound
Compound ID
CP0145442
Compound Name
5,4'-Dihydroxy-6,7-dimethoxyflavone
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Synonyms
4',5-Dihydroxy-6,7-dimethoxyflavone
4H-1-Benzopyran-4-one, 5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy-
5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy-chromen-4-one
6,7-Dimethoxyscutellarein
6-Methoxygenkwanin
6601-62-3
7-Methylcapillarisin
AC1L4MLD
AC1Q6AIG
ACon1_000850
CHEBI:81337
CHEMBL348436
CIRSIMARITIN
CTK2F4258
Cirsimaritin
DTXSID00216220
Flavone, 4',5-dihydroxy-6,7-dimethoxy-
MEGxp0_000498
MLS000876998
MolPort-000-779-119
PubChem SID: 26725076
SCHEMBL1663486
Scrophulein
Skrofulein
cid_188323
cirsimartin
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Structure
Formula
C17H14O6
Molecular Weight
314.293
Canonical SMILES
COc1cc2oc(cc(=O)c2c(O)c1OC)-c1ccc(O)cc1
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InChI
InChI=1S/C17H14O6/c1-21-14-8-13-15(16(20)17(14)22-2)11(19)7-12(23-13)9-3-5-10(18)6-4-9/h3-8,18,20H,1-2H3
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InChIKey
ZIIAJIWLQUVGHB-UHFFFAOYSA-N
CAS
6601-62-3
Physicochemical Property
logP
2.8884
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
89.13
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
23

"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: 188323
SID: 15371174
ChEMBL ID
CHEMBL348436
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
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
Ki = 1720 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( CIRSIMARITIN )
Drug Name CIRSIMARITIN
Target(s)
Adenosine A3 receptor (ADORA3)
 Target Info 
Inhibitor