Ancistrocongoline A
AlkaPlorer ID: AK013376
Synonym: None
IUPAC Name: (1R,3R)-5-(4-hydroxy-5-methoxy-7-methylnaphthalen-1-yl)-1,2,3-trimethyl-3,4-dihydro-1H-isoquinoline-6,8-diol
Structure
SMILES: COC1=CC(C)=CC2=C(C3=C(O)C=C(O)C4=C3C[C@@H](C)N(C)[C@@H]4C)C=CC(O)=C12
InChI: InChI=1S/C24H27NO4/c1-12-8-16-15(6-7-18(26)24(16)21(9-12)29-5)23-17-10-13(2)25(4)14(3)22(17)19(27)11-20(23)28/h6-9,11,13-14,26-28H,10H2,1-5H3/t13-,14-/m1/s1
InChIKey: GWJJRDKEDFSIDL-ZIAGYGMSSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ancistrocladus congolensis | Ancistrocladus | Ancistrocladaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 393.4830000000001
TPSA？: 73.16
MolLogP？: 4.878020000000005
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Leishmania donovani | Leishmania donovani | IC50 | nan | None | 10.1021/np010622d |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 0.214 | ug.mL-1 | 10.1021/np010622d |
| Rattus norvegicus | L6 | MIC | 90.0 | ug.mL-1 | 10.1021/np010622d |
| Trypanosoma brucei rhodesiense | Trypanosoma brucei rhodesiense | IC50 | 2.97 | ug.mL-1 | 10.1021/np010622d |
| Trypanosoma cruzi | Trypanosoma cruzi | IC50 | 39.9 | ug.mL-1 | 10.1021/np010622d |