Acetylcaranine
AlkaPlorer ID: AK020262
Synonym: None
IUPAC Name: [(1S,18R,19S)-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9,15-tetraen-18-yl] acetate
Structure
SMILES: CC(=O)O[C@@H]1CC=C2CCN3CC4=CC5=C(C=C4[C@H]1[C@@H]23)OCO5
InChI: InChI=1S/C18H19NO4/c1-10(20)23-14-3-2-11-4-5-19-8-12-6-15-16(22-9-21-15)7-13(12)17(14)18(11)19/h2,6-7,14,17-18H,3-5,8-9H2,1H3/t14-,17-,18-/m1/s1
InChIKey: SEWQEQSXDGJDGG-ZTFGCOKTSA-N
Reference
Alkaloids of Urginea altissima and their antimicrobial activity against Phytophthora capsici
PubChem CID: 258956
CAS: 14383-07-4
LOTUS: LTS0012478
NPASS: NPC57812
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ammocharis coranica | Ammocharis | Amaryllidaceae | Asparagales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Amaryllis belladonna | Amaryllis | Amaryllidaceae | Asparagales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 313.35300000000007
TPSA？: 48.0
MolLogP？: 2.3486
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A2780 | IC50 | 56000.0 | nM | 10.1016/j.bmcl.2017.11.021 |
| Leishmania donovani | Leishmania donovani | IC50 | 100.0 | ug.mL-1 | 10.1016/j.bmcl.2019.126642 |
| Mus musculus | P388 | Activity | nan | None | 10.1021/np50035a007 |
| Mus musculus | P388 | ED50 | 0.23 | ug ml-1 | 10.1021/np50035a007 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 3500.0 | nM | 10.1016/j.bmcl.2017.11.021 |
| Trypanosoma brucei rhodesiense | Trypanosoma brucei rhodesiense | IC50 | 1.97 | ug.mL-1 | 10.1016/j.bmcl.2019.126642 |
| Trypanosoma cruzi | Trypanosoma cruzi | IC50 | 35.9 | ug.mL-1 | 10.1016/j.bmcl.2019.126642 |