Cyclostellettamine L
AlkaPlorer ID: AK000320
Synonym: None
IUPAC Name: 1,17-diazoniatricyclo[30.3.1.113,17]heptatriaconta-1(35),13(37),14,16,32(36),33-hexaene
Structure
SMILES: C1CCCCCCC[N+]2=CC=CC(=C2)CCCCCCCCCCC[N+]3=CC=CC(=C3)CCCCCC1
InChI: InChI=1S/C35H58N2/c1-2-4-8-12-16-20-28-36-30-23-27-35(33-36)25-19-15-11-7-5-9-13-17-21-29-37-31-22-26-34(32-37)24-18-14-10-6-3-1/h22-23,26-27,30-33H,1-21,24-25,28-29H2/q+2
InChIKey: YJLIAACRFBCVGJ-UHFFFAOYSA-N
Reference
Synthesis and Mass Spectrometric Analysis of CyclostellettaminesH, I, K and L
PubChem CID: 3012482
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: 506.86300000000057
TPSA？: 7.76
MolLogP？: 9.252500000000003
Number of H-Donors: 0
Number of H-Acceptors: 0
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC | 4.6 | ug.mL-1 | 10.1016/j.ejmech.2017.06.005 |