General Information of the Compound
| Compound ID |
CP0949784
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
9-(2-Hydroxy-4,4-dimethyl-6-oxocyclohexyl)-3,3,6-trimethyl-2,3,4,9-tetrahydro-1H-xanthen-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H28O4
|
||||||||||||||||||
| Molecular Weight |
380.484
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc2c(c1)OC1=C(C(=O)CC(C)(C)C1)C2C1=C(O)CC(C)(C)CC1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H28O4/c1-13-6-7-14-18(8-13)28-19-12-24(4,5)11-17(27)22(19)20(14)21-15(25)9-23(2,3)10-16(21)26/h6-8,20,25H,9-12H2,1-5H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
WKESVSRLYSGBQM-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