Dioncophylline B
AlkaPlorer ID: AK001713
Synonym: None
IUPAC Name: (1R,3R)-7-(1-hydroxy-8-methoxy-6-methylnaphthalen-2-yl)-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol
Structure
SMILES: COC1=CC(C)=CC2=CC=C(C3=CC=C4C[C@@H](C)N[C@H](C)C4=C3O)C(O)=C12
InChI: InChI=1S/C23H25NO3/c1-12-9-15-5-7-18(23(26)21(15)19(10-12)27-4)17-8-6-16-11-13(2)24-14(3)20(16)22(17)25/h5-10,13-14,24-26H,11H2,1-4H3/t13-,14-/m1/s1
InChIKey: UOMMAZXPQFOUSU-ZIAGYGMSSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Triphyophyllum peltatum | Triphyophyllum | Dioncophyllaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 363.4570000000001
TPSA？: 61.72
MolLogP？: 4.830220000000005
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Trypanosoma brucei brucei | Trypanosoma brucei brucei | EC50 | 2600.0 | nM | 10.1016/j.bmcl.2016.07.014 |