General Information of the Compound
| Compound ID |
CP0423849
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3Z,6R,11aS)-7,8,10-trimethoxy-9-methyl-6-phenyl-3-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]-11,11a-dihydro-6H-pyrazino[1,2-b]isoquinoline-1,4-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H36N2O8
|
||||||||||||||||||
| Molecular Weight |
588.657
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(\C=C2/NC(=O)[C@@H]3Cc4c(OC)c(C)c(OC)c(OC)c4[C@H](N3C2=O)c2ccccc2)c(OC)c(C)c1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H36N2O8/c1-17-27(39-4)20(15-24(38-3)29(17)41-6)14-22-33(37)35-23(32(36)34-22)16-21-25(26(35)19-12-10-9-11-13-19)31(43-8)30(42-7)18(2)28(21)40-5/h9-15,23,26H,16H2,1-8H3,(H,34,36)/b22-14-/t23-,26+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MZWBWDUMRFZTHQ-DLCHDIDMSA-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: PT00633, Heat sensitive channel TRPV3
Protein ID: PT02148, Transient receptor potential cation channel subfamily A member 1
Protein ID: PT05529, Transient receptor potential cation channel subfamily M member 8
Protein ID: PT02183, Transient receptor potential cation channel subfamily V member 1
Protein ID: PT06137, Transient receptor potential cation channel subfamily V member 2
Protein ID: PT04567, Transient receptor potential cation channel subfamily V member 4