(+)-araguspongine L
AlkaPlorer ID: AK004646
Synonym: None
IUPAC Name: (1R,8R,10S,15R,22R,29S)-11-oxido-9,30-dioxa-25-aza-11-azoniapentacyclo[20.6.2.28,11.010,15.025,29]dotriacontane-1,15-diol
Structure
SMILES: C1CCC[C@]2(CCCN3[C@H]2O[C@H](CCCCCC[C@]4(CCC[N+]5([C@H]4O[C@H](CC1)CC5)[O-])O)CC3)O
InChI: InChI=1S/C28H50N2O5/c31-27-15-7-3-1-6-12-24-14-22-30(33)21-10-18-28(32,26(30)35-24)16-8-4-2-5-11-23-13-20-29(19-9-17-27)25(27)34-23/h23-26,31-32H,1-22H2/t23-,24-,25+,26+,27-,28-,30?/m1/s1
InChIKey: YGVDXBJSMGJURA-SSLKDGFCSA-N
Reference
PubChem CID: 10983854
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Neopetrosia exigua | Neopetrosia | Petrosiidae | Haplosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 494.71700000000044
TPSA？: 85.22000000000001
MolLogP？: 4.5776000000000066
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | BT-474 | IC50 | 35600.0 | nM | 10.1016/j.ejmech.2021.113491 |
| Plasmodium falciparum | Plasmodium falciparum | Activity | nan | None | 10.1021/np0202226 |