General Information of the Compound
| Compound ID |
CP0455153
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(3,4-dihydroxyphenyl)-8-hydroxychromen-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H10O5
|
||||||||||||||||||
| Molecular Weight |
270.24
|
||||||||||||||||||
| Canonical SMILES |
Oc1ccc(cc1O)-c1cc2cccc(O)c2oc1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H10O5/c16-11-5-4-8(7-13(11)18)10-6-9-2-1-3-12(17)14(9)20-15(10)19/h1-7,16-18H
Show/Hide
|
||||||||||||||||||
| InChIKey |
PCBWMOGIYWSXTA-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