PROROCENTROLIDE B
AlkaPlorer ID: AK323854
Synonym: None
IUPAC Name: [(10E,12E,23E,47E)-14,18,19,22,31,33,40,42-octahydroxy-2,11,35,47,50-pentamethyl-36-methylidene-27-oxo-26,53,54,55-tetraoxa-6-azaheptacyclo[23.21.5.13,45.117,21.129,32.139,43.02,7]pentapentaconta-6,10,12,23,45,47-hexaen-30-yl] hydrogen sulfate
Structure
SMILES: C=C1CCC2OC(CC3=CC4/C(C)=C/CC(C)CC(/C=C/C(O)C5CC(O)C(O)C(CCC(O)/C=C/C(C)=C/CCC6=NCCC(C3)C64C)O5)OC(=O)CC3OC(C(O)CC1C)C(O)C3OS(=O)(=O)O)C(O)CC2O
InChI: InChI=1S/C56H85NO17S/c1-30-8-7-9-50-56(6)36(20-21-57-50)24-35-25-39(56)33(4)12-10-31(2)22-38(16-17-40(59)48-28-43(62)52(65)46(72-48)19-15-37(58)14-11-30)70-51(64)29-49-55(74-75(67,68)69)53(66)54(73-49)44(63)23-34(5)32(3)13-18-45-41(60)27-42(61)47(26-35)71-45/h8,11-12,14,16-17,25,31,34,36-49,52-55,58-63,65-66H,3,7,9-10,13,15,18-24,26-29H2,1-2,4-6H3,(H,67,68,69)/b14-11+,17-16+,30-8+,33-12+
InChIKey: RJXHGYBHQXANAS-HWMQDWKCSA-N
Reference
Isolation and Structure of Prorocentrolide B, a Fast-Acting Toxin from <i>Prorocentrum maculosum</i>
PubChem CID: 10581990
LOTUS: LTS0133927
NPASS: NPC485029
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Prorocentrum maculosum | Prorocentrum | Prorocentraceae | Prorocentrales | Dinophyceae | None | None | Eukaryota |
Properties Information
Molecule Weight: 1076.353
TPSA？: 291.79
MolLogP？: 4.621000000000008
Number of H-Donors: 9
Number of H-Acceptors: 17
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mus musculus | Mus musculus | Activity | None | None | 10.1021/np960439y |