Toxiferine I; Bis(deoxy)
AlkaPlorer ID: AK316195
Synonym: 18,18'-Dideoxytoxiferine I, C-Deoxytoxiferine, C-Alkaloid K, C-Dihydrotoxiferine I
IUPAC Name: 28,38-di(ethylidene)-14,30-dimethyl-8,24-diaza-14,30-diazoniaundecacyclo[25.5.2.211,14.11,26.110,17.02,7.013,17.018,23.030,33.08,35.024,36]octatriaconta-2,4,6,9,18,20,22,25-octaene
Structure
SMILES: CC=C1C[N+]2(C)CCC34C5=CC=CC=C5N5C=C6C7CC8C9(CC[N+]8(C)CC7=CC)C7=CC=CC=C7N(C=C(C1CC32)C54)C69
InChI: InChI=1S/C40H46N4/c1-5-25-23-43(3)17-15-39-31-11-7-10-14-34(31)42-22-30-28-20-36-40(16-18-44(36,4)24-26(28)6-2)32-12-8-9-13-33(32)41(38(30)40)21-29(37(39)42)27(25)19-35(39)43/h5-14,21-22,27-28,35-38H,15-20,23-24H2,1-4H3/q+2
InChIKey: KJHAQFGXJGTJHM-UHFFFAOYSA-N
Reference
CAS: 664-27-7
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Strychnos | Loganiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Strychnos toxifera | Strychnos | Loganiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| None | Strychnos | Loganiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 582.8360000000004
TPSA？: 6.48
MolLogP？: 6.418400000000007
Number of H-Donors: 0
Number of H-Acceptors: 2
RingCount: 11
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|