Kopsinine; N4-Oxide
AlkaPlorer ID: AK303739
Synonym: Kopsinoline
IUPAC Name: methyl 12-oxido-2-aza-12-azoniahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3,5,7-triene-18-carboxylate
Structure
SMILES: COC(=O)C1CC23CCC[N+]4([O-])CCC5(C6=CC=CC=C6NC15CC2)C34
InChI: InChI=1S/C21H26N2O3/c1-26-17(24)15-13-19-7-4-11-23(25)12-10-20(18(19)23)14-5-2-3-6-16(14)22-21(15,20)9-8-19/h2-3,5-6,15,18,22H,4,7-13H2,1H3
InChIKey: KWXHCCIXBUPHTG-UHFFFAOYSA-N
Reference
Indole alkaloids from Kopsia jasminiflora
PubChem CID: 139291937
CAS: 7290-10-0
LOTUS: LTS0243457
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Pleiocarpa | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Kopsia hainanensis | Kopsia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Pleiocarpa mutica | Pleiocarpa | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 354.4500000000001
TPSA？: 61.39
MolLogP？: 2.942500000000001
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|