Caracurine II; Nb,Nb'-Di-Me
AlkaPlorer ID: AK291622
Synonym: Toxiferine IX, Caracurine II dimethosalt
IUPAC Name: None
Structure
SMILES: C[N+]12CCC34C5=CC=CC=C5N5C6OCC=C7C[N+]8(C)CCC9%10C%11=CC=CC=C%11N%11C%12OCC=C(C1)C(CC32)C%12(C54)C6(C7CC98)C%11%10
InChI: InChI=1S/C40H44N4O2/c1-43-15-13-37-25-7-3-5-9-29(25)41-33(37)39-27(19-31(37)43)23(21-43)11-17-45-35(39)42-30-10-6-4-8-26(30)38-14-16-44(2)22-24-12-18-46-36(41)40(39,34(38)42)28(24)20-32(38)44/h3-12,27-28,31-36H,13-22H2,1-2H3/q+2
InChIKey: CLCDLMYWXWKMMH-UHFFFAOYSA-N
Reference
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Strychnos toxifera | Strychnos | Loganiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 612.8180000000003
TPSA？: 24.94
MolLogP？: 4.309800000000004
Number of H-Donors: 0
Number of H-Acceptors: 4
RingCount: 14
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|