3-Hydroxy-6'-desmethyl-9-O-methylthalifaboramine
AlkaPlorer ID: AK006011
Synonym: ''
IUPAC Name: (6aR)-8-[4-[[(1S)-6-hydroxy-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]-1,2,9,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-3-ol
Structure
SMILES: COC1=CC2=C(C=C1O)CCN(C)[C@H]2CC1=CC=C(OC2=C3C[C@@H]4C5=C(C3=CC(OC)=C2OC)C(OC)=C(OC)C(O)=C5CCN4C)C=C1
InChI: InChI=1S/C39H44N2O8/c1-40-14-12-22-17-30(42)31(44-3)19-25(22)28(40)16-21-8-10-23(11-9-21)49-36-27-18-29-33-24(13-15-41(29)2)35(43)39(48-7)38(47-6)34(33)26(27)20-32(45-4)37(36)46-5/h8-11,17,19-20,28-29,42-43H,12-16,18H2,1-7H3/t28-,29+/m0/s1
InChIKey: TUVJHVFGUYHZJS-URLMMPGGSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 668.7870000000001
TPSA？: 102.32000000000002
MolLogP？: 6.456900000000009
Number of H-Donors: 2
Number of H-Acceptors: 10
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 0.0242 | ug.mL-1 | 10.1016/j.bmc.2009.02.050 |