Ancistrocongoline B
AlkaPlorer ID: AK074727
Synonym: None
IUPAC Name: (1R,3R)-5-(4,5-dimethoxy-7-methylnaphthalen-1-yl)-6-methoxy-1,2,3-trimethyl-3,4-dihydro-1H-isoquinolin-8-ol
Structure
SMILES: COC1=C(C2=CC=C(OC)C3=C(OC)C=C(C)C=C23)C2=C(C(O)=C1)[C@@H](C)N(C)[C@H](C)C2
InChI: InChI=1S/C26H31NO4/c1-14-10-18-17(8-9-21(29-5)26(18)22(11-14)30-6)25-19-12-15(2)27(4)16(3)24(19)20(28)13-23(25)31-7/h8-11,13,15-16,28H,12H2,1-7H3/t15-,16-/m1/s1
InChIKey: YDUMNUIISWCVDA-HZPDHXFCSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ancistrocladus congolensis | Ancistrocladus | Ancistrocladaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 421.5370000000002
TPSA？: 51.16
MolLogP？: 5.484020000000005
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Leishmania donovani | Leishmania donovani | IC50 | 18.8 | ug.mL-1 | 10.1021/np010622d |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 0.158 | ug.mL-1 | 10.1021/np010622d |
| Rattus norvegicus | L6 | MIC | 33.4 | ug.mL-1 | 10.1021/np010622d |
| Trypanosoma brucei rhodesiense | Trypanosoma brucei rhodesiense | IC50 | 2.54 | ug.mL-1 | 10.1021/np010622d |
| Trypanosoma cruzi | Trypanosoma cruzi | IC50 | 17.4 | ug.mL-1 | 10.1021/np010622d |