Aeruginosin GE766
AlkaPlorer ID: AK042036
Synonym: None
IUPAC Name: [(2S,3aS,6R,7aS)-1-[(2R,3S)-2-[[(2R)-3-(3-bromo-5-chloro-4-hydroxyphenyl)-2-hydroxypropanoyl]amino]-3-methylpentanoyl]-2-[4-(diaminomethylideneamino)butylcarbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-6-yl] hydrogen sulfate
Structure
SMILES: CC[C@H](C)[C@@H](N=C(O)[C@H](O)CC1=CC(Cl)=C(O)C(Br)=C1)C(=O)N1[C@H](C(O)=NCCCCNC(=N)N)C[C@@H]2CC[C@@H](OS(=O)(=O)O)C[C@@H]21
InChI: InChI=1S/C29H44BrClN6O9S/c1-3-15(2)24(36-27(41)23(38)12-16-10-19(30)25(39)20(31)11-16)28(42)37-21-14-18(46-47(43,44)45)7-6-17(21)13-22(37)26(40)34-8-4-5-9-35-29(32)33/h10-11,15,17-18,21-24,38-39H,3-9,12-14H2,1-2H3,(H,34,40)(H,36,41)(H4,32,33,35)(H,43,44,45)/t15-,17-,18+,21-,22-,23+,24+/m0/s1
InChIKey: WGFZRUTWFMYTPD-GPSFYHMWSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Microcystis aeruginosa | Microcystis | Microcystaceae | Chroococcales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 768.1279999999999
TPSA？: 251.45
MolLogP？: 3.2600700000000016
Number of H-Donors: 8
Number of H-Acceptors: 9
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | Unchecked | IC50 | 12200.0 | nM | 10.1021/np3005612 |
| None | Unchecked | IC50 | 45500.0 | nM | 10.1021/np3005612 |