Islanditoxin

Formula: C24H31Cl2N5O7
Molecular weight: 572.40
Smiles: CCC1C(=O)NC(C(=O)NC(C(=O)N2CC(C(C2C(=O)NC(CC(=O)N1)C3=CC=CC=C3)Cl)Cl)CO)CO
Type: Cyclopeptide

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Islanditoxin

Names

Structural Information

Physico-chemical Properties

ADME

Toxicity

Medical Chemistry

Fungi

Mycotoxin name: Islanditoxin
First synonym: None
Synonyms: Islanditoxin,10089-09-5,Cyclo(L-Abu-L-Ser-L-Ser-3beta,4beta-dichloro-L-Pro-3-phenyl-betaAla-),17,18-dichloro-9-ethyl-3,6-bis(hydroxymethyl)-13-phenyl-1,4,7,10,14-pentazabicyclo[14.3.0]nonadecane-2,5,8,11,15-pentone,DTXSID40905823,CHEBI:192211,17,18-Dichloro-7-ethyldodecahydro-10,13-bis(hydroxymethyl)-3-phenylpyrrolo(2,1-c)(1,4,7,10,13)pentaazacyclohexadecine-1,5,8,11,14(2H)-pentone,Pyrrolo(2,1-c)(1,4,7,10,13)pentaazacyclohexadecine-1,5,8,11,14(2H)-pentone, 17,18-dichloro-7-ethyldodecahydro-10,13-bis(hydroxymethyl)-3-phenyl-,Cyclic(3-phenyl-b-alanyl-a-aminobutyrylserylseryl-3,4-dichloroprolyl), 9CI,17,18-Dichloro-7-ethyl-1,5,8,11-tetrahydroxy-10,13-bis(hydroxymethyl)-3-phenyl-4,7,10,13,16,17,18,18a-octahydropyrrolo[2,1-c][1,4,7,10,13]pentaazacyclohexadecin-14(3H)-one

Smiles: CCC1C(=O)NC(C(=O)NC(C(=O)N2CC(C(C2C(=O)NC(CC(=O)N1)C3=CC=CC=C3)Cl)Cl)CO)CO
Isomeric smiles: CCC1C(=O)NC(C(=O)NC(C(=O)N2CC(C(C2C(=O)NC(CC(=O)N1)C3=CC=CC=C3)Cl)Cl)CO)CO
Inchi: InChI=1S/C24H31Cl2N5O7/c1-2-14-21(35)29-16(10-32)22(36)30-17(11-33)24(38)31-9-13(25)19(26)20(31)23(37)28-15(8-18(34)27-14)12-6-4-3-5-7-12/h3-7,13-17,19-20,32-33H,2,8-11H2,1H3,(H,27,34)(H,28,37)(H,29,35)(H,30,36)
Inchikey: AIUAVRQIJPKJTG-UHFFFAOYSA-N

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Endpoint	Tool	Value	Unit	Comments	Reference

Fungi id	Species
834	Penicillium islandicum