Dinophysistoxin 5b
AlkaPlorer ID: AK296695
Synonym: DTX5b
IUPAC Name: [7-[2-hydroxy-3-[11-hydroxy-2-[4-[4-hydroxy-2-[1-hydroxy-3-(3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl)butyl]-3-methylidenespiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]-2'-yl]but-3-en-2-yl]-4-methyl-1,7-dioxaspiro[5.5]undec-4-en-8-yl]-2-methylpropanoyl]oxy-6-methylhepta-3,5-dienyl] 7-oxo-7-[(2,4,6-trihydroxy-5,7-disulfooxyheptyl)amino]hept-3-enoate
Structure
SMILES: C=C1C(O)C2OC3(CCC(C=CC(C)C4CC(C)=CC5(OC(CC(C)(O)C(=O)OCC(C)=CC=CCCOC(=O)CC=CCCC(O)=NCC(O)CC(O)C(OS(=O)(=O)O)C(O)COS(=O)(=O)O)CCC5O)O4)O3)CCC2OC1C(O)CC(C)C1OC2(CCCCO2)CCC1C
InChI: InChI=1S/C66H103NO27S2/c1-40(16-10-9-14-30-84-56(74)18-12-8-11-17-55(73)67-37-46(68)34-50(70)60(94-96(81,82)83)51(71)39-87-95(78,79)80)38-85-62(76)63(7,77)36-48-21-22-54(72)66(90-48)35-41(2)32-53(91-66)42(3)19-20-47-24-28-65(89-47)29-25-52-61(93-65)57(75)45(6)59(88-52)49(69)33-44(5)58-43(4)23-27-64(92-58)26-13-15-31-86-64/h8-10,12,16,19-20,35,42-44,46-54,57-61,68-72,75,77H,6,11,13-15,17-18,21-34,36-39H2,1-5,7H3,(H,67,73)(H,78,79,80)(H,81,82,83)
InChIKey: FJGQASBBKOMDQL-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Prorocentrum maculosum | Prorocentrum | Prorocentraceae | Prorocentrales | Dinophyceae | None | None | Eukaryota |
Properties Information
Molecule Weight: 1406.664000000001
TPSA？: 418.6100000000001
MolLogP？: 5.271200000000014
Number of H-Donors: 10
Number of H-Acceptors: 25
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|