Pachychaline C
AlkaPlorer ID: AK309122
Synonym: None
IUPAC Name: 16-[3-[12-[1-[12-[1-(16-aminohexadecyl)pyridin-1-ium-3-yl]dodecyl]pyridin-1-ium-3-yl]dodecyl]pyridin-1-ium-1-yl]hexadecan-1-amine
Structure
SMILES: NCCCCCCCCCCCCCCCC[N+]1=CC=CC(CCCCCCCCCCCCC2=CC=C[N+](CCCCCCCCCCCCC3=CC=C[N+](CCCCCCCCCCCCCCCCN)=C3)=C2)=C1
InChI: InChI=1S/C71H128N5/c72-58-44-36-28-20-12-5-1-3-7-14-22-30-38-46-60-74-63-49-55-69(66-74)52-41-33-25-17-9-10-18-26-34-42-53-70-56-50-65-76(67-70)62-48-40-32-24-16-11-19-27-35-43-54-71-57-51-64-75(68-71)61-47-39-31-23-15-8-4-2-6-13-21-29-37-45-59-73/h49-51,55-57,63-68H,1-48,52-54,58-62,72-73H2/q+3
InChIKey: LNDLHKJAFHQWOM-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Pachychalina | Niphatidae | Haplosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
| None | Pachychalina | Niphatidae | Haplosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 1051.8399999999983
TPSA？: 63.68000000000001
MolLogP？: 19.21919999999999
Number of H-Donors: 2
Number of H-Acceptors: 2
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|