Aegeline; (±)-form, Me ether
AlkaPlorer ID: AK003602
Synonym: None
IUPAC Name: (E)-N-[(2S)-2-methoxy-2-(4-methoxyphenyl)ethyl]-3-phenylprop-2-enamide
Structure
SMILES: COC1=CC=C([C@@H](CN=C(O)/C=C/C2=CC=CC=C2)OC)C=C1
InChI: InChI=1S/C19H21NO3/c1-22-17-11-9-16(10-12-17)18(23-2)14-20-19(21)13-8-15-6-4-3-5-7-15/h3-13,18H,14H2,1-2H3,(H,20,21)/b13-8+/t18-/m1/s1
InChIKey: PJIOBHFHQZPYOX-INMULRNOSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aegle marmelos | Aegle | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 311.3810000000001
TPSA？: 51.05
MolLogP？: 4.052600000000003
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | Unchecked | Activity | nan | None | 10.1016/j.bmcl.2008.08.024 |
| None | Unchecked | Inhibition | 12.6 | % | 10.1016/j.bmcl.2008.08.024 |