Mitrajavine
AlkaPlorer ID: AK506692
Synonym: None
IUPAC Name: methyl (1R,15R,16S,20R)-8-methoxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,18-pentaene-19-carboxylate
Structure
SMILES: COC(=O)C1=CO[C@@H](C)[C@H]2CN3CCC4=C(NC5=CC=CC(OC)=C45)[C@H]3C[C@@H]12
InChI: InChI=1S/C22H26N2O4/c1-12-15-10-24-8-7-13-20-17(5-4-6-19(20)26-2)23-21(13)18(24)9-14(15)16(11-28-12)22(25)27-3/h4-6,11-12,14-15,18,23H,7-10H2,1-3H3/t12-,14+,15+,18+/m0/s1
InChIKey: QXSGZNGSUBCBAZ-KDQZPGIASA-N
Reference
Alkaloids from <i>Mitragyna javanica</i>, Koord. and Valeton and <i>Mitragyna hirsuta</i>, Havil
PubChem CID: 163185917
LOTUS: LTS0200526
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Mitragyna diversifolia | Mitragyna | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 382.4600000000001
TPSA？: 63.790000000000006
MolLogP？: 3.187400000000002
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|