Ambelline
AlkaPlorer ID: AK000926
Synonym: 'Ambelline', '', '(-)-Ambelline', 'Brunsbelline', '(3alpha,11S)-1,2-Didehydro-3,7-dimethoxycrinan-11-ol'
IUPAC Name: (1R,13R,15R,18S)-9,15-dimethoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-18-ol
Structure
SMILES: COC1=C2CN3C[C@@H](O)[C@]4(C=C[C@H](OC)C[C@@H]34)C2=CC2=C1OCO2
InChI: InChI=1S/C18H21NO5/c1-21-10-3-4-18-12-6-13-17(24-9-23-13)16(22-2)11(12)7-19(8-15(18)20)14(18)5-10/h3-4,6,10,14-15,20H,5,7-9H2,1-2H3/t10-,14+,15+,18+/m0/s1
InChIKey: QAHZAHIPKNLGAS-QMJNRFBBSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Crinum latifolium | Crinum | Amaryllidaceae | Asparagales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 331.3680000000001
TPSA？: 60.390000000000015
MolLogP？: 1.1952999999999996
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A2780 | IC50 | 60000.0 | nM | 10.1016/j.bmcl.2017.11.021 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 7300.0 | nM | 10.1016/j.bmcl.2017.11.021 |