(1S)-6,7-dimethoxy-2-methyl-1-[(4-{[(9S)-4,5,14,15,16-pentamethoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2(7),3,5,13,15-hexaen-6-yl]oxy}phenyl)methyl]-3,4-dihydro-1H-isoquinolin-5-ol
AlkaPlorer ID: AK243357
Synonym: None
IUPAC Name: (1S)-1-[[4-[[(6aS)-1,2,3,9,10-pentamethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-8-yl]oxy]phenyl]methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-5-ol
Structure
SMILES: COC1=CC2=C(CCN(C)[C@H]2CC2=CC=C(OC3=C4C[C@H]5C6=C(C4=CC(OC)=C3OC)C(OC)=C(OC)C(OC)=C6CCN5C)C=C2)C(O)=C1OC
InChI: InChI=1S/C41H48N2O9/c1-42-16-14-24-26(20-31(45-3)38(48-6)35(24)44)29(42)18-22-10-12-23(13-11-22)52-37-28-19-30-33-25(15-17-43(30)2)36(47-5)41(51-9)40(50-8)34(33)27(28)21-32(46-4)39(37)49-7/h10-13,20-21,29-30,44H,14-19H2,1-9H3/t29-,30-/m0/s1
InChIKey: FMTSBRIIPOZRKN-KYJUHHDHSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Thalictrum cultratum | Thalictrum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 712.8400000000001
TPSA？: 100.55
MolLogP？: 6.768500000000009
Number of H-Donors: 1
Number of H-Acceptors: 11
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HL-60 | IC50 | 1010.0 | nM | 10.1021/acs.jnatprod.7b00387 |
| Homo sapiens | HL-60 | Ratio IC50 | 2.0 | None | 10.1021/acs.jnatprod.7b00387 |
| Homo sapiens | PC-3 | IC50 | 2470.0 | nM | 10.1021/acs.jnatprod.7b00387 |
| Homo sapiens | PC-3 | Ratio IC50 | 3.0 | None | 10.1021/acs.jnatprod.7b00387 |
| Homo sapiens | PC-3 | Ratio IC50 | 9.0 | None | 10.1021/acs.jnatprod.7b00387 |