Theonelladine A; 11,12-Didehydro
AlkaPlorer ID: AK042566
Synonym: 14-(3-Pyridinyl)-11-tetradecyn-1-amine, 3-(11-Amino-3-tetradecynyl)pyridine, Niphatesine A
IUPAC Name: 14-pyridin-3-yltetradec-11-yn-1-amine
Structure
SMILES: NCCCCCCCCCCC#CCCC1=CC=CN=C1
InChI: InChI=1S/C19H30N2/c20-16-12-10-8-6-4-2-1-3-5-7-9-11-14-19-15-13-17-21-18-19/h13,15,17-18H,1-6,8,10-12,14,16,20H2
InChIKey: WWDGIHDLRWPZDO-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Niphates | Niphatidae | Haplosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 286.463
TPSA？: 38.91
MolLogP？: 4.487200000000004
Number of H-Donors: 1
Number of H-Acceptors: 2
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|