3-O-Acetylhamayne
AlkaPlorer ID: AK009357
Synonym: '3-Acetylhamayne', 'Yemenine A', '3-O-Acetylhamayne', 'O-Demethylcrinamine 3-acetate', 'Hamayne 3-acetate'
IUPAC Name: [(1S,13S,15R,18R)-18-hydroxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-15-yl] acetate
Structure
SMILES: CC(=O)O[C@H]1C=C[C@@]23C4=CC5=C(C=C4CN(C[C@@H]2O)[C@H]3C1)OCO5
InChI: InChI=1S/C18H19NO5/c1-10(20)24-12-2-3-18-13-6-15-14(22-9-23-15)4-11(13)7-19(8-17(18)21)16(18)5-12/h2-4,6,12,16-17,21H,5,7-9H2,1H3/t12-,16-,17-,18-/m0/s1
InChIKey: NWAYYOQRSAEORM-JUKXBJQTSA-N
Reference
Alkaloidal constituents of Crinum latifolium and Crinum bulbispermum (amaryllidaceae).
PubChem CID: 443671
LOTUS: LTS0041666
SuperNatural Ⅲ: SN0256797-05
NPASS: NPC210138
Source
Properties Information
Molecule Weight: 329.3520000000001
TPSA？: 68.23
MolLogP？: 1.1033999999999995
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Leishmania donovani | Leishmania donovani | IC50 | 17.9 | ug.mL-1 | 10.1016/j.bmcl.2019.126642 |
| Trypanosoma brucei rhodesiense | Trypanosoma brucei rhodesiense | IC50 | 1.51 | ug.mL-1 | 10.1016/j.bmcl.2019.126642 |
| Trypanosoma cruzi | Trypanosoma cruzi | IC50 | 8.3 | ug.mL-1 | 10.1016/j.bmcl.2019.126642 |