Molecule

AK toxin I

AlkaPlorer ID: AK283618

Synonym: N-Acetyl-β-methyl-L-phenylalanine 7-carboxy-1-(2-methyloxiranyl)-2,4,6-heptatrienyl ester

IUPAC Name: (2E,4Z,6E)-8-(2-acetamido-3-phenylbutanoyl)oxy-8-(2-methyloxiran-2-yl)octa-2,4,6-trienoic acid

Structure

SMILES: CC(O)=NC(C(=O)OC(/C=C/C=C\C=C\C(=O)O)C1(C)CO1)C(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+

InChIKey: HGSOUJPIFSDBKJ-OUYMFVGOSA-N

Reference

Isolation and structures of AK-toxin I and II. Host-specific phytotoxic metabolites produced by Alternaria alternata Japanese pear pathotype.

PubChem CID: 46173828

CAS: 85146-09-4

LOTUS: LTS0254068

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NPAtlas: NPA008756

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Alternaria kikuchiana	Alternaria	Pleosporaceae	Pleosporales	Dothideomycetes	Ascomycota	Fungi	Eukaryota
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