(1S,12S,14R)-9-hydroxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.0¹,¹².0⁶,¹⁷]heptadeca-6,8,10(17),15-tetraen-14-yl acetate
AlkaPlorer ID: AK008888
Synonym: None
IUPAC Name: None
Structure
SMILES: CC(=O)O[C@H]1C=C[C@@]23CC[NH+](C)CC4=CC=C(O)C(=C42)O[C@H]3C1
InChI: InChI=1S/C18H21NO4/c1-11(20)22-13-5-6-18-7-8-19(2)10-12-3-4-14(21)17(16(12)18)23-15(18)9-13/h3-6,13,15,21H,7-10H2,1-2H3/p+1/t13-,15-,18-/m0/s1
InChIKey: LBXRKDGNBSYDML-YEWWUXTCSA-O
Reference
Augustamine type alkaloids from Crinum kirkii
LOTUS: LTS0159164
SuperNatural Ⅲ: SN0201355-02
NPASS: NPC141712
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Crinum kirkii | Crinum | Amaryllidaceae | Asparagales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 316.37700000000007
TPSA？: 60.2
MolLogP？: 0.7010000000000001
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense | Trypanosoma brucei rhodesiense | IC50 | 1.1 | ug.mL-1 | 10.1016/j.bmcl.2019.126642 |
| Trypanosoma cruzi | Trypanosoma cruzi | IC50 | 2.3 | ug.mL-1 | 10.1016/j.bmcl.2019.126642 |