(2E)-N-[2-(4-{[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxy}phenyl)ethyl]-3-methanesulfonyl-N-methylprop-2-enamide
AlkaPlorer ID: AK319923
Synonym: None
IUPAC Name: (E)-N-[2-[4-[(2E)-3,7-dimethylocta-2,6-dienoxy]phenyl]ethyl]-N-methyl-3-methylsulfonylprop-2-enamide
Structure
SMILES: CC(C)=CCC/C(C)=C/COC1=CC=C(CCN(C)C(=O)/C=C/S(C)(=O)=O)C=C1
InChI: InChI=1S/C23H33NO4S/c1-19(2)7-6-8-20(3)14-17-28-22-11-9-21(10-12-22)13-16-24(4)23(25)15-18-29(5,26)27/h7,9-12,14-15,18H,6,8,13,16-17H2,1-5H3/b18-15+,20-14+
InChIKey: IPDUMYRKLCXLQE-IWSLWXFRSA-N
Reference
Organ-specific chemical differences in Glycosmis trichanthera
PubChem CID: 15460080
LOTUS: LTS0011554
NPASS: NPC309972
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Caltha palustris | Caltha | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Xanthostemon chrysanthus | Xanthostemon | Myrtaceae | Myrtales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Iris japonica | Iris | Iridaceae | Asparagales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 419.5870000000001
TPSA？: 63.68
MolLogP？: 4.317300000000004
Number of H-Donors: 0
Number of H-Acceptors: 4
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Trypanosoma cruzi | Trypanosoma cruzi | IC50 | 1230.0 | nM | 10.1016/j.ejmech.2020.112673 |