General Information of the Compound
| Compound ID |
CP0845451
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-Dehydro-10-gingerdione
Show/Hide
|
||||||||||||||||||
| Formula |
C21H30O4
|
||||||||||||||||||
| Molecular Weight |
346.467
|
||||||||||||||||||
| Canonical SMILES |
CCCCCCCCC/C(O)=C/C(=O)/C=C/c1ccc(O)c(OC)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H30O4/c1-3-4-5-6-7-8-9-10-18(22)16-19(23)13-11-17-12-14-20(24)21(15-17)25-2/h11-16,22,24H,3-10H2,1-2H3/b13-11+,18-16-
Show/Hide
|
||||||||||||||||||
| InChIKey |
BCPSEEXFXGUUKF-PQPLKPFKSA-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