Niphatoxin C
AlkaPlorer ID: AK006796
Synonym: None
IUPAC Name: 1-[(Z)-12-pyridin-3-yldodec-5-enyl]-3-[(Z)-9-pyridin-3-ylnon-2-enyl]pyridin-1-ium
Structure
SMILES: C1=CC(=CN=C1)CCCCCC/C=C\CCCC[N+]2=CC=CC(=C2)C/C=C\CCCCCCC3=CN=CC=C3
InChI: InChI=1S/C36H50N3/c1(3-6-10-14-21-34-24-18-27-37-31-34)2-4-9-13-17-29-39-30-20-26-36(33-39)23-16-12-8-5-7-11-15-22-35-25-19-28-38-32-35/h2,4,12,16,18-20,24-28,30-33H,1,3,5-11,13-15,17,21-23,29H2/q+1/b4-2-,16-12-
InChIKey: QMKWJZIROZRKOP-JXSNUWOOSA-N
Reference
Niphatoxin C, a Cytotoxic Tripyridine Alkaloid from Callyspongia sp.
PubChem CID: 24763331
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Callyspongia sp. | Callyspongia | Callyspongiidae | Haplosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 524.8170000000003
TPSA？: 29.66
MolLogP？: 8.975700000000003
Number of H-Donors: 0
Number of H-Acceptors: 2
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | P2X purinoceptor 7 | Activity | 41.0 | % | 10.1021/np070366q |
| Homo sapiens | THP-1 | Activity | 0.0 | % | 10.1021/np070366q |
| Homo sapiens | THP-1 | Activity | 99.0 | % | 10.1021/np070366q |
| Homo sapiens | THP-1 | Activity | 101.0 | % | 10.1021/np070366q |
| Homo sapiens | THP-1 | Activity | 185.0 | % | 10.1021/np070366q |
| Homo sapiens | THP-1 | IC50 | 11500.0 | nM | 10.1021/np070366q |