Rac-1,9,10-trihydroxy-2-methoxy-6-methylaporphinium trifluoroacetate
AlkaPlorer ID: AK000821
Synonym: None
IUPAC Name: 2-methoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium-1,9,10-triol;2,2,2-trifluoroacetate
Structure
SMILES: C[N+]1(CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)O)O)O)OC)C.C(=O)(C(F)(F)F)[O-]
InChI: InChI=1S/C19H21NO4.C2HF3O2/c1-20(2)5-4-10-8-16(24-3)19(23)18-12-9-15(22)14(21)7-11(12)6-13(20)17(10)18;3-2(4,5)1(6)7/h7-9,13H,4-6H2,1-3H3,(H2-,21,22,23);(H,6,7)
InChIKey: VFLFCPDJEDTJAC-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Gnetum montanum | Gnetum | Gnetaceae | Gnetales | Gnetopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 441.4020000000001
TPSA？: 110.05000000000001
MolLogP？: 2.0073
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Pseudomonas aeruginosa | Pseudomonas aeruginosa | GI | 59.0 | % | 10.1021/np200700f |
| Staphylococcus aureus | Staphylococcus aureus | GI | nan | None | 10.1021/np200700f |