Aeruginosin Ei461
AlkaPlorer ID: AK025674
Synonym: None
IUPAC Name: (2S,3aR,6R,7aR)-6-hydroxy-1-[(2R)-2-[[(2S)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide
Structure
SMILES: CC(C)C[C@@H](N=C(O)[C@@H](O)CC1=CC=C(O)C=C1)C(=O)N1[C@@H]2C[C@H](O)CC[C@@H]2C[C@H]1C(=N)O
InChI: InChI=1S/C24H35N3O6/c1-13(2)9-18(26-23(32)21(30)10-14-3-6-16(28)7-4-14)24(33)27-19-12-17(29)8-5-15(19)11-20(27)22(25)31/h3-4,6-7,13,15,17-21,28-30H,5,8-12H2,1-2H3,(H2,25,31)(H,26,32)/t15-,17-,18-,19-,20+,21+/m1/s1
InChIKey: FEBDAAYWFMTVBF-HYMUMSMOSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Microcystis aeruginosa | Microcystis | Microcystaceae | Chroococcales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 461.55900000000025
TPSA？: 157.67
MolLogP？: 2.33257
Number of H-Donors: 6
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | Unchecked | Inhibition | 15.0 | % | 10.1016/j.bmcl.2009.04.056 |
| None | Unchecked | Inhibition | 15.0 | % | 10.1021/np010597b |