Gilletine
AlkaPlorer ID: AK000499
Synonym: None
IUPAC Name: (1S)-6,26-dimethoxy-31-methyl-8,23,24,34-tetraoxa-15,31-diazaoctacyclo[19.10.3.29,12.13,7.114,18.025,33.028,32.022,35]octatriaconta-3(38),4,6,9(37),10,12(36),18,20,22(35),25,27,32-dodecaen-20-ol
Structure
SMILES: CN1CCC2=CC(=C3C4=C2[C@@H]1CC5=CC(=C(C=C5)OC)OC6=CC=C(CC7C8=C(C(=C(C=C8CCN7)O)O4)OO3)C=C6)OC
InChI: InChI=1S/C35H34N2O7/c1-37-13-11-22-18-29(40-3)33-34-31(22)25(37)15-20-6-9-27(39-2)28(16-20)41-23-7-4-19(5-8-23)14-24-30-21(10-12-36-24)17-26(38)32(42-34)35(30)44-43-33/h4-9,16-18,24-25,36,38H,10-15H2,1-3H3/t24?,25-/m0/s1
InChIKey: JDYVOSPQSXHMKP-BBMPLOMVSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 594.6640000000003
TPSA？: 102.61000000000001
MolLogP？: 6.926100000000008
Number of H-Donors: 2
Number of H-Acceptors: 9
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Entamoeba histolytica | Entamoeba histolytica | IC50 | 12.37 | ug.mL-1 | 10.1007/s00044-011-9767-1 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 1.1 | ug.mL-1 | 10.1021/np50075a001 |