General Information of the Compound
| Compound ID |
CP0439928
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(8-acetyloxy-2-oxo-3-phenylchromen-7-yl) acetate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H14O6
|
||||||||||||||||||
| Molecular Weight |
338.315
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)Oc1ccc2cc(-c3ccccc3)c(=O)oc2c1OC(C)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H14O6/c1-11(20)23-16-9-8-14-10-15(13-6-4-3-5-7-13)19(22)25-17(14)18(16)24-12(2)21/h3-10H,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
MJMQPFPRJQOZQW-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"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). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
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: PT00840, Adenosine receptor A1
Protein ID: PT00862, Adenosine receptor A2a
Protein ID: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3