None
AlkaPlorer ID: AK323021
Synonym: None
IUPAC Name: (3R)-5-[5-hydroxy-8-[1-hydroxy-4-[(1S,3R)-6-hydroxy-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-5-yl]-8-methoxy-6-methylnaphthalen-2-yl]-4-methoxy-7-methylnaphthalen-1-yl]-8-methoxy-1,3-dimethyl-3,4-dihydroisoquinolin-6-ol
Structure
SMILES: COC1=C2C(C)=N[C@H](C)CC2=C(C2=C3C(C4=CC(C5=C6C[C@@H](C)N[C@@H](C)C6=C(OC)C=C5O)=C5C=C(C)C=C(OC)C5=C4O)=C(C)C=C(O)C3=C(OC)C=C2)C(O)=C1
InChI: InChI=1S/C48H50N2O8/c1-21-13-28-29(44-31-17-24(4)50-26(6)42(31)39(58-10)20-35(44)53)18-32(48(54)45(28)37(14-21)56-8)40-22(2)15-33(51)47-36(55-7)12-11-27(46(40)47)43-30-16-23(3)49-25(5)41(30)38(57-9)19-34(43)52/h11-15,18-20,23-24,26,50-54H,16-17H2,1-10H3/t23-,24-,26+/m1/s1
InChIKey: IUFTYFDUYNQGAW-MZKUHISZSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ancistrocladus ealaensis | Ancistrocladus | Ancistrocladaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 782.9340000000002
TPSA？: 142.23000000000002
MolLogP？: 9.816439999999991
Number of H-Donors: 5
Number of H-Acceptors: 10
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | ADR5000 cell line | IC50 | 19030.0 | nM | 10.1021/acs.jnatprod.7b01041 |
| Homo sapiens | CCRF-CEM | IC50 | 2955.0 | nM | 10.1021/acs.jnatprod.7b01041 |
| Leishmania donovani | Leishmania donovani | IC50 | 100000.0 | nM | 10.1021/acs.jnatprod.7b01041 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 126.0 | nM | 10.1021/acs.jnatprod.7b01041 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 337.0 | nM | 10.1021/acs.jnatprod.7b01041 |
| Rattus norvegicus | L6 | IC50 | 8870.0 | nM | 10.1021/acs.jnatprod.7b01041 |
| Trypanosoma brucei rhodesiense | Trypanosoma brucei rhodesiense | IC50 | 4100.0 | nM | 10.1021/acs.jnatprod.7b01041 |
| None | Unchecked | Ratio IC50 | 6.4 | None | 10.1021/acs.jnatprod.7b01041 |
| None | Unchecked | Ratio IC50 | 26.3 | None | 10.1021/acs.jnatprod.7b01041 |
| None | Unchecked | Ratio IC50 | 70.4 | None | 10.1021/acs.jnatprod.7b01041 |