16-epi-Latrunculin B
AlkaPlorer ID: AK005307
Synonym: '', '76343-94-7'
IUPAC Name: (4R)-4-[(1R,4Z,8Z,10R,13R,15R)-15-hydroxy-5,10-dimethyl-3-oxo-2,14-dioxabicyclo[11.3.1]heptadeca-4,8-dien-15-yl]-1,3-thiazolidin-2-one
Structure
SMILES: C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@@H](C)/C=C\CC1)O[C@@](O)([C@@H]1CSC(O)=N1)C2
InChI: InChI=1S/C20H29NO5S/c1-13-5-3-4-6-14(2)9-18(22)25-16-10-15(8-7-13)26-20(24,11-16)17-12-27-19(23)21-17/h3,5,9,13,15-17,24H,4,6-8,10-12H2,1-2H3,(H,21,23)/b5-3-,14-9-/t13-,15+,16+,17-,20+/m0/s1
InChIKey: NSHPHXHGRHSMIK-HBBSVCLOSA-N
Reference
Marine toxins of Latrunculia magnifica
PubChem CID: 162928963
LOTUS: LTS0194426
SuperNatural Ⅲ: SN0253938-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Negombata magnifica | Negombata | Latrunculiidae | Poecilosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 395.5210000000001
TPSA？: 88.35000000000001
MolLogP？: 3.5078000000000022
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|