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Nortryptoquivalone

  • Formula: C26H24N4O6

  • Molecular weight: 488.50

  • Smiles: CC1C(=O)N2C(N1O)C3(CC(C(=O)O3)N4C(=O)C5=CC=CC=C5N=C4C(=O)C(C)C)C6=CC=CC=C62

  • Type: Indole

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Nortryptoquivalone

Names
Structural Information
Physico-chemical Properties
ADME
Toxicity
Medical Chemistry
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Names

  • Mycotoxin name: Nortryptoquivalone

  • First synonym: Nortryptoquivalone

  • Synonyms: Nortryptoquivalone,UNII-3QAI9CTO3Q,3QAI9CTO3Q,Tryptoquivalone,Tryptoquivaline B,55387-46-7,Q27257903,(2'S-(2'alpha,9'alpha(R*),9'abeta))-1',3,4,9'a-Tetrahydro-1'-hydroxy-2'-methyl-4-(2-(2-methyl-1-oxopropyl)-4-oxo-3(4H)-quinazolinyl)spiro(furan-2(5H),9'-(9H)imidazo(1,2-a)indole)-3',5(2'H)-dione,Spiro(furan-2(5H),9'-(9H)imidazo(1,2-a)indole)-3',5(2'H)-dione, 1',3,4,9'a-tetrahydro-1'-hydroxy-2'-methyl-4-(2-(2-methyl-1-oxopropytl)-4-oxo-3(4H)-quinazolinyl)-, (2S,2'S,4R,9'aS)-

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Structure

  • Smiles: CC1C(=O)N2C(N1O)C3(CC(C(=O)O3)N4C(=O)C5=CC=CC=C5N=C4C(=O)C(C)C)C6=CC=CC=C62

  • Isomeric smiles: C[C@H]1C(=O)N2[C@@H](N1O)[C@]3(C[C@H](C(=O)O3)N4C(=O)C5=CC=CC=C5N=C4C(=O)C(C)C)C6=CC=CC=C62

  • Inchi: InChI=1S/C26H24N4O6/c1-13(2)20(31)21-27-17-10-6-4-8-15(17)23(33)28(21)19-12-26(36-24(19)34)16-9-5-7-11-18(16)29-22(32)14(3)30(35)25(26)29/h4-11,13-14,19,25,35H,12H2,1-3H3/t14-,19+,25-,26-/m0/s1

  • Inchikey: KKKXNFWTLBZDAQ-RDUQTRIHSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C26H24N4O6

  • Molecular weight: 488.50

  • Monoisotopic mass: 488.1695845

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