General Information of the Compound
| Compound ID |
CP0524079
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(3,4-dihydroxyphenyl)-7-hydroxy-5-(octy-loxy)-4H-chromen-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H26O6
|
||||||||||||||||||
| Molecular Weight |
398.455
|
||||||||||||||||||
| Canonical SMILES |
CCCCCCCCOc1cc(O)cc2oc(cc(=O)c12)-c1ccc(O)c(O)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H26O6/c1-2-3-4-5-6-7-10-28-21-12-16(24)13-22-23(21)19(27)14-20(29-22)15-8-9-17(25)18(26)11-15/h8-9,11-14,24-26H,2-7,10H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
OPWMDMCKTJPDAT-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