Gambirine; 3-Epimer, 18,19-didehydro, Me ether, N4-oxide
AlkaPlorer ID: AK299034
Synonym: 3-Isopaynantheine N4-oxide
IUPAC Name: None
Structure
SMILES: C=CC1C[N+]2([O-])CCC3=C(NC4=CC=CC(OC)=C34)C2CC1/C(=C/OC)C(=O)OC
InChI: InChI=1S/C23H28N2O5/c1-5-14-12-25(27)10-9-15-21-18(7-6-8-20(21)29-3)24-22(15)19(25)11-16(14)17(13-28-2)23(26)30-4/h5-8,13-14,16,19,24H,1,9-12H2,2-4H3/b17-13-
InChIKey: OJKYJWDFFASHGX-LGMDPLHJSA-N
Reference
CAS: 1500152-95-3
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Mitragyna diversifolia | Mitragyna | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 412.4860000000002
TPSA？: 83.61
MolLogP？: 3.6137000000000015
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|