Spiroidesin
AlkaPlorer ID: AK026638
Synonym: None
IUPAC Name: (2R)-2-[[(2S)-2-[[(2R)-2-(hexanoylamino)-4-(4-hydroxyphenyl)butanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]amino]-3-phenylpropanoic acid
Structure
SMILES: CCCCCC(=O)N[C@H](CCC1=CC=C(O)C=C1)C(=O)N[C@@H](CCC1=CC=C(O)C=C1)C(=O)N[C@H](CC1=CC=CC=C1)C(=O)O
InChI: InChI=1S/C35H43N3O7/c1-2-3-5-10-32(41)36-29(21-15-24-11-17-27(39)18-12-24)33(42)37-30(22-16-25-13-19-28(40)20-14-25)34(43)38-31(35(44)45)23-26-8-6-4-7-9-26/h4,6-9,11-14,17-20,29-31,39-40H,2-3,5,10,15-16,21-23H2,1H3,(H,36,41)(H,37,42)(H,38,43)(H,44,45)/t29-,30+,31-/m1/s1
InChIKey: XFLVJFHNXBWJDL-MJSOWUPRSA-N
Reference
PubChem CID: 637849
LOTUS: LTS0053963
SuperNatural Ⅲ: SN0428742-01
NPASS: NPC244866
{NPAtlas: NPA001050
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Anabaena | Nostocaceae | Nostocales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
| Microcystis aeruginosa | Microcystis | Microcystaceae | Chroococcales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 617.7430000000004
TPSA？: 165.06
MolLogP？: 4.0252000000000026
Number of H-Donors: 6
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Microcystis aeruginosa | Microcystis aeruginosa | IC50 | 1600.0 | nM | 10.1021/np010660x |
| None | Unchecked | IC50 | 10000.0 | nM | 10.1021/np010660x |