None
AlkaPlorer ID: AK323033
Synonym: None
IUPAC Name: (1S,3R)-7-[4-hydroxy-3-[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]-5-methoxy-7-methylnaphthalen-1-yl]-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-6-ol
Structure
SMILES: COC1=C2C(=C(C3=CC(C4=CC(C5=C(O)C=C6C[C@@H](C)N[C@@H](C)C6=C5OC)=C5C=C(C)C=C(OC)C5=C4O)=C(O)C4=C(OC)C=C(C)C=C34)C(O)=C1)C[C@@H](C)N[C@H]2C
InChI: InChI=1S/C48H52N2O8/c1-21-11-28-30(42-34-16-24(4)50-26(6)41(34)39(57-9)20-36(42)52)18-32(46(53)44(28)37(13-21)55-7)33-19-31(29-12-22(2)14-38(56-8)45(29)47(33)54)43-35(51)17-27-15-23(3)49-25(5)40(27)48(43)58-10/h11-14,17-20,23-26,49-54H,15-16H2,1-10H3/t23-,24-,25+,26+/m1/s1
InChIKey: YMWBNESVKMRLPF-XPGKHFPBSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ancistrocladus ealaensis | Ancistrocladus | Ancistrocladaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 784.95
TPSA？: 141.9
MolLogP？: 9.658040000000002
Number of H-Donors: 6
Number of H-Acceptors: 10
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 6.3 | nM | 10.1016/j.ejmech.2021.113839 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 6.3 | nM | 10.1021/acs.jnatprod.9b00755 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 34.0 | nM | 10.1016/j.ejmech.2021.113839 |
| Rattus norvegicus | L6 | IC50 | 6000.0 | nM | 10.1021/acs.jnatprod.9b00755 |
| None | Unchecked | Ratio IC50 | 1000.0 | None | 10.1021/acs.jnatprod.9b00755 |