Thiocyanatin E2
AlkaPlorer ID: AK012405
Synonym: ''
IUPAC Name: S-[(9S)-9-hydroxy-16-methylsulfanylhexadecyl] carbamothioate
Structure
SMILES: CSCCCCCCC[C@@H](O)CCCCCCCCSC(=N)O
InChI: InChI=1S/C18H37NO2S2/c1-22-15-11-7-4-6-10-14-17(20)13-9-5-2-3-8-12-16-23-18(19)21/h17,20H,2-16H2,1H3,(H2,19,21)/t17-/m0/s1
InChIKey: WZDZLHDPUIKKRT-KRWDZBQOSA-N
Reference
Nematocidal Thiocyanatins from a Southern Australian Marine Sponge <i>Oceanapia</i> sp.
PubChem CID: 163106512
LOTUS: LTS0181004
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | Phloeodictyidae | Haplosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 363.6330000000001
TPSA？: 64.31
MolLogP？: 6.007570000000006
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|