General Information of the Compound
| Compound ID |
CP0519785
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(3-ethoxy-4-hydroxyphenyl)-5,7-dihydro-xy-4H-chromen-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H14O6
|
||||||||||||||||||
| Molecular Weight |
314.293
|
||||||||||||||||||
| Canonical SMILES |
CCOc1cc(ccc1O)-c1cc(=O)c2c(O)cc(O)cc2o1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H14O6/c1-2-22-15-5-9(3-4-11(15)19)14-8-13(21)17-12(20)6-10(18)7-16(17)23-14/h3-8,18-20H,2H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
CAIHJQODXVKKJZ-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