Mitragynine
AlkaPlorer ID: AK004932
Synonym: '', 'Speciogynine', 'Mitragynine', 'Speciogynin', 'Speciociliatine', 'Speciociliatin'
IUPAC Name: methyl (Z)-2-[(2S,3S,12bR)-3-ethyl-8-methoxy-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate
Structure
SMILES: CC[C@@H]1CN2CCC3=C(NC4=CC=CC(OC)=C34)[C@H]2C[C@@H]1/C(=C/OC)C(=O)OC
InChI: InChI=1S/C23H30N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h6-8,13-14,16,19,24H,5,9-12H2,1-4H3/b17-13-/t14-,16+,19-/m1/s1
InChIKey: LELBFTMXCIIKKX-LVTAGTOFSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Mitragyna speciosa | Mitragyna | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 398.5030000000002
TPSA？: 63.790000000000006
MolLogP？: 3.8251000000000026
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Cavia porcellus | Cavia porcellus | Inhibition | 85.9 | % | 10.1021/jm010576e |
| Cavia porcellus | Cavia porcellus | Inhibition | 101.0 | % | 10.1021/jm010576e |
| Cavia porcellus | Cavia porcellus | pD2 | 5.4 | None | 10.1021/jm010576e |
| Cavia porcellus | Cavia porcellus | Relative potency | 2.0 | % | 10.1021/jm010576e |