None
AlkaPlorer ID: AK323023
Synonym: None
IUPAC Name: 4-[(3S)-6,8-dimethoxy-1,3-dimethyl-3,4-dihydroisoquinolin-5-yl]-8-methoxy-6-methylnaphthalen-1-ol
Structure
SMILES: COC1=C2C(C)=N[C@@H](C)CC2=C(C2=CC=C(O)C3=C(OC)C=C(C)C=C23)C(OC)=C1
InChI: InChI=1S/C25H27NO4/c1-13-9-17-16(7-8-19(27)25(17)20(10-13)28-4)24-18-11-14(2)26-15(3)23(18)21(29-5)12-22(24)30-6/h7-10,12,14,27H,11H2,1-6H3/t14-/m0/s1
InChIKey: GVGRYGWGGUHNJH-AWEZNQCLSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ancistrocladus ealaensis | Ancistrocladus | Ancistrocladaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 405.49400000000014
TPSA？: 60.28
MolLogP？: 5.300220000000005
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | ADR5000 cell line | Activity | 20.0 | % | 10.1021/acs.jnatprod.7b01041 |
| Homo sapiens | CCRF-CEM | Activity | 20.0 | % | 10.1021/acs.jnatprod.7b01041 |
| Homo sapiens | HeLa | Activity | nan | None | 10.1016/j.bmc.2020.115950 |
| Homo sapiens | HeLa | IC50 | 7200.0 | nM | 10.1016/j.bmc.2020.115950 |
| Homo sapiens | PANC-1 | Activity | 25.0 | % | 10.1016/j.bmc.2020.115950 |
| Homo sapiens | PANC-1 | Activity | 62.0 | % | 10.1016/j.bmc.2020.115950 |
| Homo sapiens | PANC-1 | Activity | 70.0 | % | 10.1016/j.bmc.2020.115950 |
| Homo sapiens | PANC-1 | Activity | 77.0 | % | 10.1016/j.bmc.2020.115950 |
| Homo sapiens | PANC-1 | Activity | 100.0 | % | 10.1016/j.bmc.2020.115950 |
| Homo sapiens | PANC-1 | Activity | nan | None | 10.1016/j.bmc.2020.115950 |
| Homo sapiens | PANC-1 | Inhibition | 63.0 | % | 10.1016/j.bmc.2020.115950 |
| Homo sapiens | PANC-1 | Inhibition | 95.0 | % | 10.1016/j.bmc.2020.115950 |
| Homo sapiens | PANC-1 | Inhibition | 100.0 | % | 10.1016/j.bmc.2020.115950 |
| Homo sapiens | PANC-1 | PC50 | 13.3 | uM | 10.1016/j.bmc.2020.115950 |
| Leishmania donovani | Leishmania donovani | IC50 | 13400.0 | nM | 10.1021/acs.jnatprod.7b01041 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 1060.0 | nM | 10.1021/acs.jnatprod.7b01041 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 2690.0 | nM | 10.1021/acs.jnatprod.7b01041 |
| Rattus norvegicus | L6 | IC50 | 101000.0 | nM | 10.1021/acs.jnatprod.7b01041 |
| Trypanosoma brucei rhodesiense | Trypanosoma brucei rhodesiense | IC50 | 1460.0 | nM | 10.1021/acs.jnatprod.7b01041 |
| Trypanosoma cruzi | Trypanosoma cruzi | IC50 | 43400.0 | nM | 10.1021/acs.jnatprod.7b01041 |
| None | Unchecked | Ratio IC50 | 37.5 | None | 10.1021/acs.jnatprod.7b01041 |
| None | Unchecked | Ratio IC50 | 95.3 | None | 10.1021/acs.jnatprod.7b01041 |