Lyngbyabellin O
AlkaPlorer ID: AK110023
Synonym: 'Lyngbyabellin O'
IUPAC Name: [(2S,3S)-7,7-dichloro-1-[(1S)-2-hydroxy-1-(4-methoxycarbonyl-1,3-thiazol-2-yl)-2-methylpropoxy]-2-methyl-1-oxooctan-3-yl] 2-[(1R)-1,2-dihydroxyethyl]-1,3-thiazole-4-carboxylate
Structure
SMILES: COC(=O)C1=CSC([C@@H](OC(=O)[C@@H](C)[C@H](CCCC(C)(Cl)Cl)OC(=O)C2=CSC([C@H](O)CO)=N2)C(C)(C)O)=N1
InChI: InChI=1S/C24H32Cl2N2O9S2/c1-12(20(31)37-17(23(2,3)34)19-28-13(10-39-19)21(32)35-5)16(7-6-8-24(4,25)26)36-22(33)14-11-38-18(27-14)15(30)9-29/h10-12,15-17,29-30,34H,6-9H2,1-5H3/t12-,15+,16-,17+/m0/s1
InChIKey: FQAXEPWBFFKCAO-NKKGCODLSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | Oscillatoriaceae | Oscillatoriales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 627.565
TPSA？: 165.37
MolLogP？: 3.992900000000004
Number of H-Donors: 3
Number of H-Acceptors: 13
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Amphibalanus amphitrite | Amphibalanus amphitrite | EC50 | 380.0 | nM | 10.1021/acs.jnatprod.7b00449 |
| Homo sapiens | MCF7 | GI50 | 160000.0 | nM | 10.1021/acs.jnatprod.7b00449 |