Cabucine
AlkaPlorer ID: AK024053
Synonym: '', 'Aricine', 'Cabucine'
IUPAC Name: methyl (1S,15S,16S,20S)-7-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=C(OC)C=C45)[C@@H]3C[C@H]12
InChI: InChI=1S/C22H26N2O4/c1-12-17-10-24-7-6-14-16-8-13(26-2)4-5-19(16)23-21(14)20(24)9-15(17)18(11-28-12)22(25)27-3/h4-5,8,11-12,15,17,20,23H,6-7,9-10H2,1-3H3/t12-,15-,17-,20-/m0/s1
InChIKey: DTDADHMBRZKXSC-GKASHWOUSA-N
Reference
The alkaloids of Rauwolfia volkensii
PubChem CID: 251575
CAS: 482-91-7
LOTUS: LTS0014019
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Rauvolfia mannii | Rauvolfia | Apocynaceae | 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 |
|---|---|---|---|---|---|
| Entamoeba histolytica | Entamoeba histolytica | IC50 | 3.6 | ug.mL-1 | 10.1007/s00044-011-9767-1 |
| Human immunodeficiency virus 1 | Human immunodeficiency virus type 1 reverse transcriptase | IC50 | 200.0 | ug.mL-1 | 10.1021/np50073a012 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 0.3 | ug.mL-1 | 10.1016/j.ejmech.2021.113536 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 690.0 | nM | 10.1016/j.ejmech.2021.113536 |