AK-toxin I
AlkaPlorer ID: AK038781
Synonym: '', 'AK-toxin I'
IUPAC Name: (2E,4E,6E,8S)-8-[(2S,3S)-2-acetamido-3-phenylbutanoyl]oxy-8-[(2S)-2-methyloxiran-2-yl]octa-2,4,6-trienoic acid
Structure
SMILES: CC(O)=N[C@H](C(=O)O[C@@H](/C=C/C=C/C=C/C(=O)O)[C@]1(C)CO1)[C@@H](C)C1=CC=CC=C1
InChI: InChI=1S/C23H27NO6/c1-16(18-11-7-6-8-12-18)21(24-17(2)25)22(28)30-19(23(3)15-29-23)13-9-4-5-10-14-20(26)27/h4-14,16,19,21H,15H2,1-3H3,(H,24,25)(H,26,27)/b5-4+,13-9+,14-10+/t16-,19-,21-,23-/m0/s1
InChIKey: HGSOUJPIFSDBKJ-FZTQYSBVSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Alternaria alternata | Alternaria | Pleosporaceae | Pleosporales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 413.4700000000002
TPSA？: 108.72
MolLogP？: 3.589000000000003
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|