Herclavine; (E)-form
AlkaPlorer ID: AK300215
Synonym: None
IUPAC Name: (E)-N-[2-(4-methoxyphenyl)ethyl]-N-methyl-3-phenylprop-2-enamide
Structure
SMILES: COC1=CC=C(CCN(C)C(=O)/C=C/C2=CC=CC=C2)C=C1
InChI: InChI=1S/C19H21NO2/c1-20(15-14-17-8-11-18(22-2)12-9-17)19(21)13-10-16-6-4-3-5-7-16/h3-13H,14-15H2,1-2H3/b13-10+
InChIKey: VANLAWLPWTVXIB-JLHYYAGUSA-N
Reference
Benzophenanthridine alkaloids from the stem bark of a Zanthoxylum species
PubChem CID: 5356194
CAS: 539-18-4
LOTUS: LTS0150636
SuperNatural Ⅲ: SN0385121-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Zanthoxylum clava-herculis | Zanthoxylum | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 295.382
TPSA？: 29.54
MolLogP？: 3.409500000000002
Number of H-Donors: 0
Number of H-Acceptors: 2
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|