Brevetoxin B1
AlkaPlorer ID: AK290983
Synonym: BTXB1
IUPAC Name: None
Structure
SMILES: C=C(CC1CC(C)C2(C)OC3CC4OC5CC6(C)OC7(C)CCC8OC9CC%10(C)OC%11C(C)=CC(=O)OC%11CC%10OC9CC(C)C8OC7CC6OC5CC=CC4OC3CC2O1)C(=O)NCCOS(=O)(=O)O
InChI: InChI=1S/C52H75NO17S/c1-26-17-34-40(24-50(6)41(65-34)22-38-47(69-50)27(2)18-45(54)66-38)62-33-12-13-49(5)42(67-46(26)33)23-43-51(7,70-49)25-39-32(64-43)11-9-10-31-35(63-39)20-37-36(61-31)21-44-52(8,68-37)29(4)19-30(60-44)16-28(3)48(55)53-14-15-59-71(56,57)58/h9-10,18,26,29-44,46-47H,3,11-17,19-25H2,1-2,4-8H3,(H,53,55)(H,56,57,58)
InChIKey: RZTYRTUKFFCELQ-UHFFFAOYSA-N
Reference
CAS: 161434-86-2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Austrovenus stutchburyi | Austrovenus | Veneridae | Venerida | Bivalvia | Mollusca | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 1018.2290000000002
TPSA？: 211.3
MolLogP？: 5.093900000000007
Number of H-Donors: 2
Number of H-Acceptors: 16
RingCount: 11
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|