Weberine
AlkaPlorer ID: AK006785
Synonym: None
IUPAC Name: 5,6,7,8-tetramethoxy-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride
Structure
SMILES: CN1CCC2=C(C1)C(=C(C(=C2OC)OC)OC)OC.Cl
InChI: InChI=1S/C14H21NO4.ClH/c1-15-7-6-9-10(8-15)12(17-3)14(19-5)13(18-4)11(9)16-2;/h6-8H2,1-5H3;1H
InChIKey: ZDACWSGLMGZYHC-UHFFFAOYSA-N
Reference
Search for new alkaloids in Pachycereus weberi by tandem mass spectrometry
PubChem CID: 45259948
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pachycereus weberi | Pachycereus | Cactaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 303.786
TPSA？: 40.160000000000004
MolLogP？: 2.1307000000000005
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Monoamine oxidase A | Ki | 260000.0 | nM | 10.1021/jm00163a025 |
| Homo sapiens | Monoamine oxidase B | Ki | 1900000.0 | nM | 10.1021/jm00163a025 |