CIV8_4.1
AlkaPlorer ID: AK002083
Synonym: '', "5'-O-Demethyl-8-O-methyl-7-epi-dioncophylline A"
IUPAC Name: 8-methoxy-5-[(1R,3R)-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-7-yl]-6-methylnaphthalen-1-ol
Structure
SMILES: COC1=C2C(=CC=C1C1=C(C)C=C(OC)C3=C(O)C=CC=C13)C[C@@H](C)N[C@@H]2C
InChI: InChI=1S/C24H27NO3/c1-13-11-20(27-4)23-17(7-6-8-19(23)26)21(13)18-10-9-16-12-14(2)25-15(3)22(16)24(18)28-5/h6-11,14-15,25-26H,12H2,1-5H3/t14-,15-/m1/s1
InChIKey: RUIMCCISFFPHCE-HUUCEWRRSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Triphyophyllum peltatum | Triphyophyllum | Dioncophyllaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 377.4840000000001
TPSA？: 50.72
MolLogP？: 5.133220000000005
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Plasmodium berghei | Plasmodium berghei | GI | 48.8 | % | 10.1021/jm201095h |