Akuammigine
AlkaPlorer ID: AK000640
Synonym: None
IUPAC Name: methyl (1R,15S,16S,20S)-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate
Structure
SMILES: COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CCC4=C(NC5=CC=CC=C45)[C@H]3C[C@H]12
InChI: InChI=1S/C21H24N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-6,11-12,15-16,19,22H,7-10H2,1-2H3/t12-,15-,16-,19+/m0/s1
InChIKey: GRTOGORTSDXSFK-BMYCAMMWSA-N
Reference
Opioid activity of alkaloids extracted from Picralima nitida (fam. Apocynaceae)
PubChem CID: 1268096
CAS: 642-17-1
LOTUS: LTS0142936
NPASS: NPC254240
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Uncaria rhynchophylla | Uncaria | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 352.434
TPSA？: 54.56
MolLogP？: 3.1788000000000016
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Alpha-2a adrenergic receptor | Ki | 106.0 | nM | 10.1021/jm00019a001 |
| Homo sapiens | Alpha-2b adrenergic receptor | Ki | 116.0 | nM | 10.1021/jm00019a001 |
| Homo sapiens | Alpha-2c adrenergic receptor | Ki | 28.0 | nM | 10.1021/jm00019a001 |
| Rattus norvegicus | Alpha-2a adrenergic receptor | Ki | 1210.0 | nM | 10.1021/jm00019a001 |