Toxiferine I; Bis(deoxy), di-N-de-Me
AlkaPlorer ID: AK316196
Synonym: Bisnordihydrotoxiferine, 4,4'-Didemethyl-18,18'-dideoxytoxiferine I, Nordihydrotoxiferine, Nordihydrotoxiferine I
IUPAC Name: 28,38-di(ethylidene)-8,14,24,30-tetrazaundecacyclo[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=C1CN2CCC34C5=CC=CC=C5N5C=C6C7CC8N(CCC89C8=CC=CC=C8N(C=C(C1CC23)C54)C69)CC7=CC
InChI: InChI=1S/C38H40N4/c1-3-23-19-39-15-13-37-29-9-5-8-12-32(29)42-22-28-26-18-34-38(14-16-40(34)20-24(26)4-2)30-10-6-7-11-31(30)41(36(28)38)21-27(35(37)42)25(23)17-33(37)39/h3-12,21-22,25-26,33-36H,13-20H2,1-2H3
InChIKey: XISKMNBBUQQBBE-UHFFFAOYSA-N
Reference
Nouveaux Alcaloïdes des Racines du Strychnos icaja
PubChem CID: 159967
LOTUS: LTS0250825
COCONUT: CNP0240375.3
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Strychnos pseudoquina | Strychnos | Loganiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Strychnos toxifera | Strychnos | Loganiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Strychnos afzelii | Strychnos | Loganiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 552.7660000000002
TPSA？: 12.96
MolLogP？: 6.129200000000007
Number of H-Donors: 0
Number of H-Acceptors: 4
RingCount: 11
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|