Didemnidine A
AlkaPlorer ID: AK091452
Synonym: None
IUPAC Name: N-[3-(4-aminobutylamino)propyl]-2-(1H-indol-3-yl)-2-oxoacetamide
Structure
SMILES: NCCCCNCCCNC(=O)C(=O)C1=CNC2=CC=CC=C12
InChI: InChI=1S/C17H24N4O2/c18-8-3-4-9-19-10-5-11-20-17(23)16(22)14-12-21-15-7-2-1-6-13(14)15/h1-2,6-7,12,19,21H,3-5,8-11,18H2,(H,20,23)
InChIKey: TUOXXENDICUNMW-UHFFFAOYSA-N
Reference
Didemnidines A and B, Indole Spermidine Alkaloids from the New Zealand Ascidian<i>Didemnum</i>sp.
PubChem CID: 52951535
LOTUS: LTS0168901
NPASS: NPC477003
COCONUT: CNP0283190
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Didemnum sp. | Didemnum | Didemnidae | Aplousobranchia | Ascidiacea | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 316.40500000000003
TPSA？: 100.01
MolLogP？: 1.185400000000001
Number of H-Donors: 4
Number of H-Acceptors: 4
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Leishmania donovani | Leishmania donovani | IC50 | 40000.0 | nM | 10.1016/j.ejmech.2017.08.014 |
| Trypanosoma brucei rhodesiense | Trypanosoma brucei rhodesiense | IC50 | 40000.0 | nM | 10.1016/j.ejmech.2017.08.014 |
| Trypanosoma cruzi | Trypanosoma cruzi | IC50 | 40000.0 | nM | 10.1016/j.ejmech.2017.08.014 |