Tabersonine; N4-Oxide
AlkaPlorer ID: AK314837
Synonym: Tabersonine Nb-oxide
IUPAC Name: methyl 12-ethyl-16-oxido-8-aza-16-azoniapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,9,13-pentaene-10-carboxylate
Structure
SMILES: CCC12C=CC[N+]3([O-])CCC4(C(=C(C(=O)OC)C1)NC1=CC=CC=C14)C23
InChI: InChI=1S/C21H24N2O3/c1-3-20-9-6-11-23(25)12-10-21(19(20)23)15-7-4-5-8-16(15)22-17(21)14(13-20)18(24)26-2/h4-9,19,22H,3,10-13H2,1-2H3
InChIKey: XLDMKSYCCLIIPV-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Amsonia elliptica | Amsonia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 352.434
TPSA？: 61.39
MolLogP？: 3.2338000000000013
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|