Alantryleunone

Formula: C27H27N5O3
Molecular weight: 469.50
Smiles: CC(C)CC1C(=O)N2C(N1)C3(CC4C(=O)NC3(C5=NC6=CC=CC=C6C(=O)N45)C)C7=CC=CC=C72

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Alantryleunone

Names

Structural Information

Physico-chemical Properties

ADME

Toxicity

Medical Chemistry

Fungi

Mycotoxin name: Alantryleunone
First synonym: None
Synonyms: Alantryleunone,(1R,2'R,3'aS,12R,16R)-12-methyl-2'-(2-methylpropyl)spiro[2,10,13-triazatetracyclo[10.2.2.02,11.04,9]hexadeca-4,6,8,10-tetraene-16,4'-3,3a-dihydro-2H-imidazo[1,2-a]indole]-1',3,14-trione,(1R,2'R,3'aS,12R,16R)-12-methyl-2'-(2-methylpropyl)spiro(2,10,13-triazatetracyclo(10.2.2.02,11.04,9)hexadeca-4,6,8,10-tetraene-16,4'-3,3a-dihydro-2H-imidazo(1,2-a)indole)-1',3,14-trione,CHEBI:205843

Smiles: CC(C)CC1C(=O)N2C(N1)C3(CC4C(=O)NC3(C5=NC6=CC=CC=C6C(=O)N45)C)C7=CC=CC=C72
Isomeric smiles: CC(C)C[C@@H]1C(=O)N2[C@H](N1)[C@]3(C[C@@H]4C(=O)N[C@]3(C5=NC6=CC=CC=C6C(=O)N45)C)C7=CC=CC=C72
Inchi: InChI=1S/C27H27N5O3/c1-14(2)12-18-23(35)31-19-11-7-5-9-16(19)27(25(31)29-18)13-20-21(33)30-26(27,3)24-28-17-10-6-4-8-15(17)22(34)32(20)24/h4-11,14,18,20,25,29H,12-13H2,1-3H3,(H,30,33)/t18-,20-,25+,26+,27+/m1/s1
Inchikey: YXZKXQFQFVNJGY-BPKUFTPRSA-N

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Fungi id	Species
512	Eupenicillium sp.