Rauvolcinine; Stereoisomer
AlkaPlorer ID: AK247933
Synonym: Cabucinine
IUPAC Name: methyl 18-hydroxy-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-tetraene-19-carboxylate
Structure
SMILES: COC(=O)C1C(O)OC(C)C2CN3CCC4=C(NC5=CC=C(OC)C=C45)C3CC21
InChI: InChI=1S/C22H28N2O5/c1-11-16-10-24-7-6-13-14-8-12(27-2)4-5-17(14)23-20(13)18(24)9-15(16)19(21(25)28-3)22(26)29-11/h4-5,8,11,15-16,18-19,22-23,26H,6-7,9-10H2,1-3H3
InChIKey: FXRNMKCIMCLQAT-UHFFFAOYSA-N
Reference
The alkaloids of Rauwolfia volkensii
PubChem CID: 163049844
LOTUS: LTS0240349
COCONUT: CNP0333074
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Cabucala | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 400.47500000000014
TPSA？: 84.02000000000001
MolLogP？: 2.2381
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|