Phyllalbine
AlkaPlorer ID: AK485100
Synonym: None
IUPAC Name: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-hydroxy-3-methoxybenzoate
Structure
SMILES: COC1=CC(C(=O)OC2CC3CCC(C2)N3C)=CC=C1O
InChI: InChI=1S/C16H21NO4/c1-17-11-4-5-12(17)9-13(8-11)21-16(19)10-3-6-14(18)15(7-10)20-2/h3,6-7,11-13,18H,4-5,8-9H2,1-2H3
InChIKey: OZKTVDIYALBSMA-UHFFFAOYSA-N
Reference
Tropane alkaloids of two species of plants of theConvolvulus genus
PubChem CID: 443007
CAS: 4540-25-4
LOTUS: LTS0155016
COCONUT: CNP0189140.4
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Convolvulus subhirsutus | Convolvulus | Convolvulaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 291.347
TPSA？: 59.0
MolLogP？: 2.1828000000000007
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Electrophorus electricus | Acetylcholinesterase | Inhibition | 31.49 | % | 10.1016/j.bmc.2012.09.040 |
| Equus caballus | Cholinesterase | Inhibition | 6.73 | % | 10.1016/j.bmc.2012.09.040 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | IC50 | 19952.62 | nM | 10.6019/CHEMBL4651402 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | IC50 | 20000.0 | nM | 10.6019/CHEMBL4651402 |