General Information of the Compound
Compound ID
CP0257983
Compound Name
4-Methoxy-5-oxo-5H-furo[3,2-g]chromene-7-carbaldehyde
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Structure
Formula
C13H8O5
Molecular Weight
244.202
Canonical SMILES
COc1c2ccoc2cc2oc(C=O)cc(=O)c12
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InChI
InChI=1S/C13H8O5/c1-16-13-8-2-3-17-10(8)5-11-12(13)9(15)4-7(6-14)18-11/h2-6H,1H3
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InChIKey
BIGQBLGBMMBSLV-UHFFFAOYSA-N
Physicochemical Property
logP
2.3603
Rotatable Bonds
2
Heavy Atom Count
18
Polar Areas
69.65
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
18

"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: 15482559
ChEMBL ID
CHEMBL75514
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 = 88900 nM
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