(1S,10S,12S,15S)-4,12-dimethoxy-9-azatetracyclo[7.5.2.0¹,¹⁰.0²,⁷]hexadeca-2(7),3,5,13-tetraene-5,15-diol
AlkaPlorer ID: AK252007
Synonym: None
IUPAC Name: (1S,10S,12S,15R)-4,12-dimethoxy-9-azatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6,13-tetraene-5,15-diol
Structure
SMILES: COC1=C(O)C=C2CN3C[C@H](O)[C@@]4(C=C[C@@H](OC)C[C@H]34)C2=C1
InChI: InChI=1S/C17H21NO4/c1-21-11-3-4-17-12-7-14(22-2)13(19)5-10(12)8-18(9-16(17)20)15(17)6-11/h3-5,7,11,15-16,19-20H,6,8-9H2,1-2H3/t11-,15+,16+,17+/m1/s1
InChIKey: BBKGLNMEMGQTBL-HSHDSVGOSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Galanthus trojanus | Galanthus | Amaryllidaceae | Asparagales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 303.35800000000006
TPSA？: 62.16000000000001
MolLogP？: 1.1722
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Leishmania donovani | Leishmania donovani | IC50 | 90.0 | ug.mL-1 | 10.1016/j.bmcl.2019.126642 |
| Trypanosoma brucei rhodesiense | Trypanosoma brucei rhodesiense | IC50 | 10.23 | ug.mL-1 | 10.1016/j.bmcl.2019.126642 |
| Trypanosoma cruzi | Trypanosoma cruzi | IC50 | 88.4 | ug.mL-1 | 10.1016/j.bmcl.2019.126642 |