General Information of the Compound
| Compound ID |
CP0441247
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(2,4-dihydroxyphenyl)-7-(2-(4-hydroxyphenyl)-4-oxo-4H-chromen-6-yloxy)-4H-chromen-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H18O8
|
||||||||||||||||||
| Molecular Weight |
506.466
|
||||||||||||||||||
| Canonical SMILES |
Oc1ccc(cc1)-c1cc(=O)c2cc(Oc3ccc4c(c3)oc(cc4=O)-c3ccc(O)cc3O)ccc2o1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H18O8/c31-17-3-1-16(2-4-17)28-14-26(35)23-12-19(7-10-27(23)37-28)36-20-6-9-22-25(34)15-30(38-29(22)13-20)21-8-5-18(32)11-24(21)33/h1-15,31-33H
Show/Hide
|
||||||||||||||||||
| InChIKey |
CBDANYYDYWOZEH-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: PT01718, Nitric oxide synthase, inducible
Protein ID: PT01062, Prostaglandin G/H synthase 2