Usambanoline
AlkaPlorer ID: AK412330
Synonym: None
IUPAC Name: 2-[6-(7,8-dimethoxy-2-methylisoquinolin-2-ium-3-yl)-1,3-benzodioxol-5-yl]ethanol
Structure
SMILES: COC1=CC=C2C=C(C3=CC4=C(C=C3CCO)OCO4)[N+](C)=CC2=C1OC
InChI: InChI=1S/C21H22NO5/c1-22-11-16-13(4-5-18(24-2)21(16)25-3)8-17(22)15-10-20-19(26-12-27-20)9-14(15)6-7-23/h4-5,8-11,23H,6-7,12H2,1-3H3/q+1
InChIKey: IMIQYRZGXCTZBB-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Zanthoxylum chalybeum | Zanthoxylum | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 368.4090000000001
TPSA？: 61.03
MolLogP？: 2.612000000000001
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|