Phyllalbine
AlkaPlorer ID: AK022439
Synonym: '', 'Vanilloyltropine', 'Phyllalbine', 'concneorine'
IUPAC Name: [(1R,5S)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 4-hydroxy-3-methoxybenzoate
Structure
SMILES: COC1=CC(C(=O)OC2C[C@H]3CC[C@@H](C2)[NH+]3C)=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/p+1/t11-,12+,13?
InChIKey: OZKTVDIYALBSMA-FUNVUKJBSA-O
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Convolvulus cneorum | Convolvulus | Convolvulaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 292.355
TPSA？: 60.2
MolLogP？: 0.7657000000000003
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Cytochrome P450 1A2 | AC50 | nan | None | None |
| Homo sapiens | Cytochrome P450 2C19 | AC50 | nan | None | None |
| Homo sapiens | Cytochrome P450 2C9 | AC50 | nan | None | None |
| Homo sapiens | Cytochrome P450 2D6 | AC50 | 7943.28 | nM | None |
| Homo sapiens | Cytochrome P450 2D6 | Potency | 7943.3 | nM | None |
| Homo sapiens | Cytochrome P450 3A4 | AC50 | nan | None | None |