General Information of the Compound
| Compound ID |
CP0848947
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
O-demethylrenierone
Show/Hide
|
||||||||||||||||||
| Formula |
C16H15NO5
|
||||||||||||||||||
| Molecular Weight |
301.298
|
||||||||||||||||||
| Canonical SMILES |
C/C=C(/C)C(=O)OCc1nccc2c1C(=O)C(O)=C(C)C2=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H15NO5/c1-4-8(2)16(21)22-7-11-12-10(5-6-17-11)13(18)9(3)14(19)15(12)20/h4-6,19H,7H2,1-3H3/b8-4-
Show/Hide
|
||||||||||||||||||
| InChIKey |
NSQSWGHMRDOITD-YWEYNIOJSA-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 | |||||||||||||||||||
| 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