Pterogynidine
AlkaPlorer ID: AK003248
Synonym: N,N'-Bis(3-methyl-2-butenyl)guanidine, N,N'-Diisopentenylguanidine, N,N'-Diprenylguanidine
IUPAC Name: None
Structure
SMILES: CC(C)=CCNC(=[NH2+])NCC=C(C)C
InChI: InChI=1S/C11H21N3/c1-9(2)5-7-13-11(12)14-8-6-10(3)4/h5-6H,7-8H2,1-4H3,(H3,12,13,14)/p+1
InChIKey: PDIPOEDZYMYFGI-UHFFFAOYSA-O
Reference
Bioactive Guanidine Alkaloids from Pterogyne nitens
CAS: 25713-89-7
LOTUS: LTS0018203
SuperNatural Ⅲ: SN0282370
NPASS: NPC188989
COCONUT: CNP0169963
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pterogyne nitens | Pterogyne | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Alchornea cordifolia | Alchornea | Euphorbiaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 196.318
TPSA？: 49.65
MolLogP？: 0.2131000000000007
Number of H-Donors: 3
Number of H-Acceptors: 0
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HCT-8 | IC50 | 5.0 | ug.mL-1 | 10.1021/np800612x |
| Homo sapiens | HL-60 | IC50 | 5.0 | ug.mL-1 | 10.1021/np800612x |
| Homo sapiens | MDA-MB-435 | IC50 | 5.0 | ug.mL-1 | 10.1021/np800612x |
| Homo sapiens | SF-295 | IC50 | 5.0 | ug.mL-1 | 10.1021/np800612x |
| Saccharomyces cerevisiae | Saccharomyces cerevisiae | IC12 | 8.5 | ug ml-1 | 10.1021/np50125a006 |
| Saccharomyces cerevisiae | Saccharomyces cerevisiae | IC12 | 1000.0 | ug ml-1 | 10.1021/np50125a006 |
| Staphylococcus aureus | Staphylococcus aureus | MBC99.9 | 4.0 | mg/ml | 10.1021/np500281c |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 4.0 | ug.mL-1 | 10.1021/np500281c |
| None | ADMET | IC50 | nan | None | 10.1021/np50125a006 |