None
AlkaPlorer ID: AK322788
Synonym: None
IUPAC Name: (6S)-4-methoxy-7-methyl-6-[[4-[(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-heptaen-6-yl)oxy]phenyl]methyl]-8,9-dihydro-6H-[1,3]dioxolo[4,5-f]isoquinoline
Structure
SMILES: COC1=CC2=C(CCN(C)[C@H]2CC2=CC=C(OC3=C(OC)C(OC)=CC4=C5C(OC)=C(OC)C(OC)=C6CCN(C)C(=C65)C=C34)C=C2)C2=C1OCO2
InChI: InChI=1S/C41H44N2O9/c1-42-15-13-24-26(19-32(45-4)39-36(24)50-21-51-39)29(42)17-22-9-11-23(12-10-22)52-37-28-18-30-33-25(14-16-43(30)2)35(46-5)41(49-8)40(48-7)34(33)27(28)20-31(44-3)38(37)47-6/h9-12,18-20,29H,13-17,21H2,1-8H3/t29-/m0/s1
InChIKey: KYNBDZXSXBHRGF-LJAQVGFWSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Thalictrum cultratum | Thalictrum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 708.808
TPSA？: 89.55000000000001
MolLogP？: 7.329600000000008
Number of H-Donors: 0
Number of H-Acceptors: 11
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HL-60 | IC50 | 1770.0 | nM | 10.1021/acs.jnatprod.7b00387 |
| Homo sapiens | PC-3 | IC50 | 3290.0 | nM | 10.1021/acs.jnatprod.7b00387 |