Gypsetin

Formula: C32H36N4O4
Molecular weight: 540.70
Smiles: CC(C)(C=C)C12C(CC3N1C(=O)C4CC5(C6=CC=CC=C6NC5(N4C3=O)C(C)(C)C=C)O)(C7=CC=CC=C7N2)O
Type: Diketopiperazine

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Gypsetin

Names

Structural Information

Physico-chemical Properties

ADME

Toxicity

Medical Chemistry

Fungi

Mycotoxin name: Gypsetin
First synonym: None
Synonyms: Gypsetin,Gypsetine,155114-38-8,(1S,4R,12S,14S,17S,25R)-12,25-dihydroxy-4,17-bis(2-methylbut-3-en-2-yl)-3,5,16,18-tetrazaheptacyclo[14.10.0.03,14.04,12.06,11.017,25.019,24]hexacosa-6,8,10,19,21,23-hexaene-2,15-dione,8a,16a-Dihydroxy-5a,13a-bis(1,1-dimethylallyl)-(1)-benzazolidine-(3''',2''':4'',5'')azolidino-(1'',2'':4',5')(1,4)perhydrodiazin-(1',2':1,5)azolidino-(2,3-b)-(1)-benzazolidine-7,15-dione,Pyrazino(1'',2'':1,5 4'',5'':1',5')dipyrrolo(2,3-b:2',3'-b')diindole-7,15(5H,7aH)-dione, 5a,13a-bis(1,1-dimethyl-2-propenyl)-5a,8,8a,13,13a,15a,16,16a-octahydro-8a,16a-dihydroxy-, (5aalpha,7aalpha,8abeta,13abeta,15aalpha,16aalpha)-,(-)-Gypsetin,gipsetin,(1S,4R,12S,14S,17S,25R)-12,25-dihydroxy-4,17-bis(2-methylbut-3-en-2-yl)-3,5,16,18-tetrazaheptacyclo(14.10.0.03,14.04,12.06,11.017,25.019,24)hexacosa-6,8,10,19,21,23-hexaene-2,15-dione,CHEBI:216815

Smiles: CC(C)(C=C)C12C(CC3N1C(=O)C4CC5(C6=CC=CC=C6NC5(N4C3=O)C(C)(C)C=C)O)(C7=CC=CC=C7N2)O
Isomeric smiles: CC(C)(C=C)[C@@]12[C@@](C[C@@H]3N1C(=O)[C@@H]4C[C@@]5(C6=CC=CC=C6N[C@@]5(N4C3=O)C(C)(C)C=C)O)(C7=CC=CC=C7N2)O
Inchi: InChI=1S/C32H36N4O4/c1-7-27(3,4)31-29(39,19-13-9-11-15-21(19)33-31)17-23-26(38)36-24(25(37)35(23)31)18-30(40)20-14-10-12-16-22(20)34-32(30,36)28(5,6)8-2/h7-16,23-24,33-34,39-40H,1-2,17-18H2,3-6H3/t23-,24-,29-,30+,31+,32-/m0/s1
Inchikey: CXDDBHFLLPBKRS-OVYULKEKSA-N

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