(9S)-6-(4-{[(1S)-6-hydroxy-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl}phenoxy)-4,15,16-trimethoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2(7),3,5,13,15-hexaen-5-ol
AlkaPlorer ID: AK008235
Synonym: None
IUPAC Name: (6aR)-8-[4-[[(1S)-6-hydroxy-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]-1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-ol
Structure
SMILES: COC1=C(O)C=C2CCN(C)[C@@H](CC3=CC=C(OC4=C5C[C@@H]6C7=C(C5=CC(OC)=C4O)C(OC)=C(OC)C=C7CCN6C)C=C3)C2=C1
InChI: InChI=1S/C38H42N2O7/c1-39-13-11-22-16-30(41)31(43-3)19-25(22)28(39)15-21-7-9-24(10-8-21)47-37-27-18-29-34-23(12-14-40(29)2)17-33(45-5)38(46-6)35(34)26(27)20-32(44-4)36(37)42/h7-10,16-17,19-20,28-29,41-42H,11-15,18H2,1-6H3/t28-,29+/m0/s1
InChIKey: RRRBUQLZAIRJQZ-URLMMPGGSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 638.7610000000001
TPSA？: 93.09000000000002
MolLogP？: 6.448300000000008
Number of H-Donors: 2
Number of H-Acceptors: 9
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 11200.0 | ug.mL-1 | 10.1016/j.bmc.2009.02.050 |