N,N'-Bis(3,7-dimethyl-2,6-octadienyl)guanidine; (E,E)-form
AlkaPlorer ID: AK290718
Synonym: N,N'-Digeranylguanidine, Nitensidine A
IUPAC Name: 1,2-bis[(2E)-3,7-dimethylocta-2,6-dienyl]guanidine
Structure
SMILES: CC(C)=CCC/C(C)=C/CNC(=N)NC/C=C(\C)CCC=C(C)C
InChI: InChI=1S/C21H37N3/c1-17(2)9-7-11-19(5)13-15-23-21(22)24-16-14-20(6)12-8-10-18(3)4/h9-10,13-14H,7-8,11-12,15-16H2,1-6H3,(H3,22,23,24)/b19-13+,20-14+
InChIKey: WWGVMWNCEFTAEP-IWGRKNQJSA-N
Reference
Bioactive Guanidine Alkaloids from Pterogyne nitens
PubChem CID: 10246147
LOTUS: LTS0180426
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pterogyne nitens | Pterogyne | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 331.5480000000002
TPSA？: 47.91
MolLogP？: 5.485770000000005
Number of H-Donors: 3
Number of H-Acceptors: 1
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Saccharomyces cerevisiae | Saccharomyces cerevisiae | IC12 | 6.0 | ug ml-1 | 10.1021/np50125a006 |
| Saccharomyces cerevisiae | Saccharomyces cerevisiae | IC12 | 1000.0 | ug ml-1 | 10.1021/np50125a006 |
| Saccharomyces cerevisiae | Saccharomyces cerevisiae | IC12 | 8000.0 | ug ml-1 | 10.1021/np50125a006 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 8.0 | ug.mL-1 | 10.1021/np500281c |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 16.0 | ug.mL-1 | 10.1021/np500281c |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 32.0 | ug.mL-1 | 10.1021/np500281c |
| None | ADMET | IC50 | 13.0 | ug.mL-1 | 10.1021/np50125a006 |