(3S,4aS,11bS,12R)-3-methoxy-4,4a-dihydro-3H,6H-11b,5-ethano[1,3]dioxolo[4,5-j]phenanthridine-6,12-diol
AlkaPlorer ID: AK001175
Synonym: None
IUPAC Name: (1S,13S,15S,18R)-15-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraene-11,18-diol
Structure
SMILES: CO[C@H]1C[C@H]2[C@@]3(C=C1)[C@H](CN2C(C4=CC5=C(C=C34)OCO5)O)O
InChI: InChI=1S/C17H19NO5/c1-21-9-2-3-17-11-6-13-12(22-8-23-13)5-10(11)16(20)18(7-15(17)19)14(17)4-9/h2-3,5-6,9,14-16,19-20H,4,7-8H2,1H3/t9-,14+,15+,16?,17+/m1/s1
InChIKey: ZSTPNQLNQBRLQF-MTJLQIHRSA-N
Source
Properties Information
Molecule Weight: 317.341
TPSA？: 71.39
MolLogP？: 0.6775999999999998
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Acetylcholinesterase | Activity | nan | None | 10.1021/np0702077 |
| Tobacco mosaic virus | Tobacco mosaic virus | Activity | nan | None | 10.1021/np0702077 |
| Trypanosoma brucei rhodesiense | Trypanosoma brucei rhodesiense | IC50 | 1.1 | ug.mL-1 | 10.1016/j.bmcl.2019.126642 |
| Trypanosoma cruzi | Trypanosoma cruzi | IC50 | 1.38 | ug.mL-1 | 10.1016/j.bmcl.2019.126642 |