Alchornedine
AlkaPlorer ID: AK283772
Synonym: 5,6-Dihydro-N-(3-methyl-2-butenyl)-6-(1-methylethenyl)-2H-1,2,4-oxadiazin-3-amine
IUPAC Name: N-(3-methylbut-2-enyl)-6-prop-1-en-2-yl-5,6-dihydro-2H-1,2,4-oxadiazin-3-amine
Structure
SMILES: C=C(C)C1CN=C(NCC=C(C)C)NO1
InChI: InChI=1S/C11H19N3O/c1-8(2)5-6-12-11-13-7-10(9(3)4)15-14-11/h5,10H,3,6-7H2,1-2,4H3,(H2,12,13,14)
InChIKey: SYHGGAUXYDWHJQ-UHFFFAOYSA-N
Reference
PubChem CID: 145993674
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Alchornea glandulosa | Alchornea | Euphorbiaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 209.293
TPSA？: 45.650000000000006
MolLogP？: 1.3777
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Trypanosoma cruzi | Trypanosoma cruzi | IC50 | 27.0 | ug.mL-1 | 10.1021/acs.jnatprod.7b00575 |
| Trypanosoma cruzi | Trypanosoma cruzi | IC50 | 93.0 | ug.mL-1 | 10.1021/acs.jnatprod.7b00575 |