Antillatoxin B
AlkaPlorer ID: AK016937
Synonym: None
IUPAC Name: (6S,9S,14R,15R)-7,9,14-trimethyl-13-methylidene-6-(2-phenylethyl)-15-[(2E,4E)-4,6,6-trimethylhepta-2,4-dien-2-yl]-1-oxa-4,7,10-triazacyclopentadecane-2,5,8,11-tetrone
Structure
SMILES: C=C1CC(O)=N[C@@H](C)C(=O)N(C)[C@@H](CCC2=CC=CC=C2)C(O)=NCC(=O)O[C@@H](/C(C)=C/C(C)=C/C(C)(C)C)[C@@H]1C
InChI: InChI=1S/C33H47N3O5/c1-21(19-33(6,7)8)17-23(3)30-24(4)22(2)18-28(37)35-25(5)32(40)36(9)27(31(39)34-20-29(38)41-30)16-15-26-13-11-10-12-14-26/h10-14,17,19,24-25,27,30H,2,15-16,18,20H2,1,3-9H3,(H,34,39)(H,35,37)/b21-19+,23-17+/t24-,25+,27+,30+/m1/s1
InChIKey: WBQWYSKGOKXFTF-OHAAWPAWSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Lyngbya majuscula | Lyngbya | Oscillatoriaceae | Oscillatoriales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 565.7550000000002
TPSA？: 111.79
MolLogP？: 6.194200000000007
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Carassius auratus | Carassius auratus | LC50 | 1000.0 | nM | 10.1021/np010107f |
| None | Unchecked | EC50 | 1770.0 | nM | 10.1021/np010107f |