Cathovaline
AlkaPlorer ID: AK003403
Synonym: 'Cathanneine'
IUPAC Name: methyl (1R,9R,10R,11S,12R,13R,19R)-11-acetyloxy-12-ethyl-8-methyl-20-oxa-8,16-diazahexacyclo[10.6.1.110,13.01,9.02,7.016,19]icosa-2,4,6-triene-10-carboxylate
Structure
SMILES: CC[C@]12[C@H](OC(C)=O)[C@]3(C(=O)OC)O[C@@H]1CCN1CC[C@@]4(C5=CC=CC=C5N(C)[C@@H]34)[C@@H]12
InChI: InChI=1S/C24H30N2O5/c1-5-22-17-10-12-26-13-11-23(18(22)26)15-8-6-7-9-16(15)25(3)19(23)24(31-17,21(28)29-4)20(22)30-14(2)27/h6-9,17-20H,5,10-13H2,1-4H3/t17-,18+,19-,20+,22+,23-,24-/m1/s1
InChIKey: HHQSRWIDLJYBKB-LHVTWODGSA-N
Reference
Catharanthus alkaloids. XXVII. Cathanneine, a new alkaloid from catharanthus lanceus
PubChem CID: 163025794
LOTUS: LTS0024082
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Catharanthus ovalis | Catharanthus | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 426.51300000000015
TPSA？: 68.31
MolLogP？: 1.8730999999999995
Number of H-Donors: 0
Number of H-Acceptors: 7
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|