General Information of the Compound
Compound ID
CP0064158
Compound Name
4-Methoxy-7-methyl-furo[3,2-g]chromen-5-one
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Synonyms
desmethoxykhellin
visnagin
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Structure
Formula
C13H10O4
Molecular Weight
230.219
Canonical SMILES
COc1c2ccoc2cc2oc(C)cc(=O)c12
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InChI
InChI=1S/C13H10O4/c1-7-5-9(14)12-11(17-7)6-10-8(3-4-16-10)13(12)15-2/h3-6H,1-2H3
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InChIKey
NZVQLVGOZRELTG-UHFFFAOYSA-N
CAS
82-57-5
Physicochemical Property
logP
2.85622
Rotatable Bonds
1
Heavy Atom Count
17
Polar Areas
52.58
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
17

"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: 6716
SID: 15093363
ChEMBL ID
CHEMBL45176
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 = 60000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( visnagin )
Drug Name visnagin
Target(s)
Adenosine A2b receptor (ADORA2B)
Antagonist
Adenosine A3 receptor (ADORA3)
Antagonist