General Information of the Compound
| Compound ID |
CP0855856
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-(1S,2S,6S,7R)-2,6-Dihydroxy-1-(4-hydroxy-2,6-dimethyl-benzyl)-7-((S)-1-hydroxymethyl-2-phenyl-ethoxycarbonyl)-8-phenyl-oct-4-enyl-ammonium
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H41NO6
|
||||||||||||||||||
| Molecular Weight |
547.692
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(O)cc(C)c1C[C@H](N)[C@@H](O)C/C=C/[C@H](O)[C@@H](Cc1ccccc1)C(=O)O[C@H](CO)Cc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H41NO6/c1-22-16-26(36)17-23(2)28(22)20-30(34)32(38)15-9-14-31(37)29(19-25-12-7-4-8-13-25)33(39)40-27(21-35)18-24-10-5-3-6-11-24/h3-14,16-17,27,29-32,35-38H,15,18-21,34H2,1-2H3/b14-9+/t27-,29+,30-,31-,32-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VLEBVIXAWMWDMY-KVMIIFOYSA-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: PT01200, Delta-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor