Lyngbyabellin G
AlkaPlorer ID: AK052058
Synonym: 'Lyngbyabellin G', '(-)-Lyngbyabellin G'
IUPAC Name: (5R,12S,13S,16S)-12-(4,4-dichloropentyl)-5-hydroxy-16-(2-hydroxypropan-2-yl)-13-methyl-3,11,15-trioxa-7,18-dithia-20,21-diazatricyclo[15.2.1.16,9]henicosa-1(19),6(21),8,17(20)-tetraene-2,10,14-trione
Structure
SMILES: C[C@@H]1C(=O)O[C@@H](C(C)(C)O)C2=NC(=CS2)C(=O)OC[C@@H](O)C2=NC(=CS2)C(=O)O[C@H]1CCCC(C)(Cl)Cl
InChI: InChI=1S/C23H28Cl2N2O8S2/c1-11-15(6-5-7-23(4,24)25)34-21(31)13-10-36-17(26-13)14(28)8-33-20(30)12-9-37-18(27-12)16(22(2,3)32)35-19(11)29/h9-11,14-16,28,32H,5-8H2,1-4H3/t11-,14+,15-,16+/m0/s1
InChIKey: HPCFVGQULNKVOH-BJKJVOPESA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Lyngbya majuscula | Lyngbya | Oscillatoriaceae | Oscillatoriales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 595.5230000000003
TPSA？: 145.14
MolLogP？: 4.384400000000004
Number of H-Donors: 2
Number of H-Acceptors: 12
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Amphibalanus amphitrite | Amphibalanus amphitrite | EC50 | 7400.0 | nM | 10.1021/acs.jnatprod.7b00449 |
| Homo sapiens | MCF7 | GI50 | 120000.0 | nM | 10.1021/acs.jnatprod.7b00449 |
| Homo sapiens | NCI-H460 | GI50 | 2200.0 | nM | 10.1021/acs.jnatprod.7b00449 |
| Mus musculus | N2a | GI50 | 4800.0 | nM | 10.1021/acs.jnatprod.7b00449 |