Brevetoxin A; 1,4-Parent hydroxyacid, 43,49-dihydro, 44-alcohol, 49-(2R-amino-2-carboxyethylthio)
AlkaPlorer ID: AK290982
Synonym: None
IUPAC Name: None
Structure
SMILES: CC1CC(O)C(CC(=O)O)OC2CC3OC4CC=CCC5OC6CCCC7OC8CC9OC(CC(CO)CSCC(N)C(=O)O)CC(O)C9OC8CC7(C)OC6C=CCC5OC4C(C)CC3OC2(C)C1
InChI: InChI=1S/C52H81NO16S/c1-27-15-32(55)39(21-47(57)58)64-46-20-41-42(69-51(46,3)22-27)16-28(2)48-38(63-41)10-6-5-9-34-35(66-48)11-7-13-37-36(62-34)12-8-14-45-52(4,68-37)23-44-40(65-45)19-43-49(67-44)33(56)18-30(61-43)17-29(24-54)25-70-26-31(53)50(59)60/h5-7,13,27-46,48-49,54-56H,8-12,14-26,53H2,1-4H3,(H,57,58)(H,59,60)
InChIKey: RDOCBOJKNGUVBL-UHFFFAOYSA-N
Reference
CAS: 910564-15-7
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Karenia brevis | Karenia | Kareniaceae | Gymnodiniales | Dinophyceae | None | None | Eukaryota |
| Karenia brevis | Karenia | Kareniaceae | Gymnodiniales | Dinophyceae | None | None | Eukaryota |
Properties Information
Molecule Weight: 1008.278
TPSA？: 244.38
MolLogP？: 4.469300000000011
Number of H-Donors: 6
Number of H-Acceptors: 16
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|