Brevetoxin B; 1,5-Parent hydroxyacid, 41,43-dihydro, 42-alcohol, 43-(2R-amino-2-carboxyethylthio)
AlkaPlorer ID: AK290986
Synonym: None
IUPAC Name: None
Structure
SMILES: CC(=CC(=O)O)C1OC2(C)CC3OC4CCC5(C)OC6(C)CC7OC8CC9OC%10(C)C(O)CC(CC(CO)CSCC(N)C(=O)O)OC%10CC9OC8C=CCC7(C)OC6CC5OC4C(C)CC3OC2CC1O
InChI: InChI=1S/C53H81NO17S/c1-26-13-34-38(21-51(5)40(65-34)17-31(56)46(70-51)27(2)14-45(58)59)64-33-10-12-50(4)41(67-47(26)33)20-42-52(6,71-50)22-44-49(3,69-42)11-8-9-32-35(66-44)18-37-36(63-32)19-43-53(7,68-37)39(57)16-29(62-43)15-28(23-55)24-72-25-30(54)48(60)61/h8-9,14,26,28-44,46-47,55-57H,10-13,15-25,54H2,1-7H3,(H,58,59)(H,60,61)
InChIKey: WPSFCZFDJPIPRW-UHFFFAOYSA-N
Reference
CAS: 910564-17-9
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: 1036.288
TPSA？: 253.61
MolLogP？: 3.990700000000012
Number of H-Donors: 6
Number of H-Acceptors: 17
RingCount: 10
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|