6-(4-{[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl}phenoxy)-4,5,14,15,16-pentamethoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2,4,6,8,13(17),14-heptaene
AlkaPlorer ID: AK101325
Synonym: None
IUPAC Name: 6-[4-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]-4,5,14,15,16-pentamethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaene
Structure
SMILES: COC1=CC2=C(C=C1OC)[C@H](CC1=CC=C(OC3=C(OC)C(OC)=CC4=C3C=C3C5=C(CCN3C)C(OC)=C(OC)C(OC)=C54)C=C1)N(C)CC2
InChI: InChI=1S/C41H46N2O8/c1-42-16-14-24-19-32(44-3)33(45-4)21-27(24)30(42)18-23-10-12-25(13-11-23)51-38-29-20-31-35-26(15-17-43(31)2)37(47-6)41(50-9)40(49-8)36(35)28(29)22-34(46-5)39(38)48-7/h10-13,19-22,30H,14-18H2,1-9H3/t30-/m0/s1
InChIKey: JCGKTYHBUICHCO-PMERELPUSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Thalictrum cultratum | Thalictrum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 694.825
TPSA？: 80.32000000000001
MolLogP？: 7.60950000000001
Number of H-Donors: 0
Number of H-Acceptors: 10
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HL-60 | IC50 | 2410.0 | nM | 10.1021/acs.jnatprod.7b00387 |
| Homo sapiens | PC-3 | IC50 | 2560.0 | nM | 10.1021/acs.jnatprod.7b00387 |