Caracurine VII; Nb-Me
AlkaPlorer ID: AK291639
Synonym: Hemitoxiferine I, Alkaloid A8
IUPAC Name: 1-methyl-15-oxa-11-aza-1-azoniahexacyclo[16.3.1.04,12.04,21.05,10.013,19]docosa-5,7,9,17-tetraen-14-ol
Structure
SMILES: C[N+]12CCC34C5=CC=CC=C5NC3C3C(O)OCC=C(C1)C3CC42
InChI: InChI=1S/C20H25N2O2/c1-22-8-7-20-14-4-2-3-5-15(14)21-18(20)17-13(10-16(20)22)12(11-22)6-9-24-19(17)23/h2-6,13,16-19,21,23H,7-11H2,1H3/q+1
InChIKey: QZXYJVDHFLRTJE-UHFFFAOYSA-N
Reference
CAS: 6879-95-4
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Strychnos toxifera | Strychnos | Loganiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 325.43200000000013
TPSA？: 41.49
MolLogP？: 1.8621
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|