Deoxynortryptoquivaline

Formula: C28H28N4O6
Molecular weight: 516.50
Smiles: CC1C(=O)N2C(N1)C3(CC(C(=O)O3)N4C(=O)C5=CC=CC=C5N=C4C(C(C)C)OC(=O)C)C6=CC=CC=C62

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Deoxynortryptoquivaline

Names

Structural Information

Physico-chemical Properties

ADME

Toxicity

Medical Chemistry

Fungi

Mycotoxin name: Deoxynortryptoquivaline
First synonym: Deoxynortryptoquivaline
Synonyms: Deoxynortryptoquivaline,UNII-771386M36R,60676-58-6,771386M36R,N-Deoxy-2'-demethyltryptoquivaline A,DTXSID70976107,Q27266529,2-Methyl-1-[3-(2-methyl-3,5'-dioxo-1,2,3,9a-tetrahydrospiro[imidazo[1,2-a]indole-9,2'-oxolan]-4'-yl)-4-oxo-3,4-dihydroquinazolin-2-yl]propyl acetate,Spiro(furan-2(5H),9'-(9H)imidazo(1,2-a)indole)-3',5(2'H)-dione, 4-(2-(1-(acetyloxy)-2-methylpropyl)-4-oxo-3(4H)-quinazolinyl)-1',3,4,9'a-tetrahydro-2'-methyl-, (2'S-(2'alpha,9'beta(4S*(R*)),9'aalpha))-

Smiles: CC1C(=O)N2C(N1)C3(CC(C(=O)O3)N4C(=O)C5=CC=CC=C5N=C4C(C(C)C)OC(=O)C)C6=CC=CC=C62
Isomeric smiles: CC1C(=O)N2C(N1)C3(CC(C(=O)O3)N4C(=O)C5=CC=CC=C5N=C4C(C(C)C)OC(=O)C)C6=CC=CC=C62
Inchi: InChI=1S/C28H28N4O6/c1-14(2)22(37-16(4)33)23-30-19-11-7-5-9-17(19)25(35)31(23)21-13-28(38-26(21)36)18-10-6-8-12-20(18)32-24(34)15(3)29-27(28)32/h5-12,14-15,21-22,27,29H,13H2,1-4H3
Inchikey: UQWRSTHNSHDTCA-UHFFFAOYSA-N

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Fungi id	Species
114	Aspergillus clavatus