Xestamine A
AlkaPlorer ID: AK317983
Synonym: N-Methoxy-N-methyl-18-(3-pyridinyl)-11-octadecen-13-yn-1-amine
IUPAC Name: (Z)-N-methoxy-N-methyl-18-pyridin-3-yloctadec-11-en-13-yn-1-amine
Structure
SMILES: CON(C)CCCCCCCCCC/C=C\C#CCCCCC1=CC=CN=C1
InChI: InChI=1S/C25H40N2O/c1-27(28-2)23-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-20-25-21-19-22-26-24-25/h5,7,19,21-22,24H,3-4,6,8,10,12-18,20,23H2,1-2H3/b7-5-
InChIKey: DCKCKRRIQLQELG-ALCCZGGFSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Calyx podatypa | Calyx | Phloeodictyidae | Haplosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
| None | Xestospongia | Petrosiidae | Haplosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
| None | Xestospongia | Petrosiidae | Haplosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 384.6080000000001
TPSA？: 25.36
MolLogP？: 6.358100000000007
Number of H-Donors: 0
Number of H-Acceptors: 3
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|