latrunculin A
AlkaPlorer ID: AK013785
Synonym: 'LATRUNCULIN A', 'LatA', '(4R)-4-(1R,4Z,8E,10Z,12S,15R,17R)-17-hydroxy-5,12-dimethyl-3-oxo-2,16-dioxabicyclo13.3.1nonadeca-4,8,10-trien-17-yl-1,3-thiazolidin-2-one', 'NSC 613011', 'LAT-A', '76343-93-6', '(+)-latrunculin A'
IUPAC Name: (4S)-4-[(1R,4Z,8E,10Z,12S,15R,17R)-17-hydroxy-5,12-dimethyl-3-oxo-2,16-dioxabicyclo[13.3.1]nonadeca-4,8,10-trien-17-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\C=C\CC1)O[C@@](O)([C@H]1CSC(O)=N1)C2
InChI: InChI=1S/C22H31NO5S/c1-15-7-5-3-4-6-8-16(2)11-20(24)27-18-12-17(10-9-15)28-22(26,13-18)19-14-29-21(25)23-19/h3-5,7,11,15,17-19,26H,6,8-10,12-14H2,1-2H3,(H,23,25)/b4-3+,7-5-,16-11-/t15-,17-,18-,19-,22-/m1/s1
InChIKey: DDVBPZROPPMBLW-RGYSQVAASA-N
Reference
Marine toxins of Latrunculia magnifica
PubChem CID: 14133242
LOTUS: LTS0089774
SuperNatural Ⅲ: SN0063146-12
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Negombata magnifica | Negombata | Latrunculiidae | Poecilosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 421.5590000000002
TPSA？: 88.35000000000001
MolLogP？: 4.064000000000003
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|