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deoxytryptoquivaline

  • Formula: C29H30N4O6

  • Molecular weight: 530.60

  • Smiles: CC(C)C(C1=NC2=CC=CC=C2C(=O)N1C3CC4(C5NC(C(=O)N5C6=CC=CC=C64)(C)C)OC3=O)OC(=O)C

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deoxytryptoquivaline

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

  • Mycotoxin name: deoxytryptoquivaline

  • First synonym: None

  • Synonyms: Deoxytryptoquivaline,Deoxytryptoquivaline A,M7VX9GXW7A,UNII-M7VX9GXW7A,60676-57-5,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',2'-DIMETHYL-, (9'S-(9'.ALPHA.(4S*(R*)),9'A.BETA.))-,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',2'-dimethyl-, (9'S-(9'alpha(4S*(R*)),9'abeta))-,((1S)-1-(3-((3'R,3aR,4S)-2,2-dimethyl-1,2'-dioxospiro(3,3a-dihydroimidazo(1,2-a)indole-4,5'-oxolane)-3'-yl)-4-oxoquinazolin-2-yl)-2-methylpropyl) acetate,(1R)-1-(3-((4'r,9S,9as)-2,2-dimethyl-3,5'-dioxo-1,2,3,9a-tetrahydrospiro(imidazo(1,2-a)indole-9,2'-oxolane)-4'-yl)-4-oxo-3,4-dihydroquinazolin-2-yl)-2-methylpropyl acetic acid,(1R)-1-{3-[(4'r,9S,9as)-2,2-dimethyl-3,5'-dioxo-1,2,3,9a-tetrahydrospiro[imidazo[1,2-a]indole-9,2'-oxolane]-4'-yl]-4-oxo-3,4-dihydroquinazolin-2-yl}-2-methylpropyl acetic acid,[(1S)-1-[3-[(3'R,3aR,4S)-2,2-dimethyl-1,2'-dioxospiro[3,3a-dihydroimidazo[1,2-a]indole-4,5'-oxolane]-3'-yl]-4-oxoquinazolin-2-yl]-2-methylpropyl] acetate,CHEMBL2386535,Q27283597

Identifiers / External links

Structure

  • Smiles: CC(C)C(C1=NC2=CC=CC=C2C(=O)N1C3CC4(C5NC(C(=O)N5C6=CC=CC=C64)(C)C)OC3=O)OC(=O)C

  • Isomeric smiles: CC(C)[C@@H](C1=NC2=CC=CC=C2C(=O)N1[C@@H]3C[C@]4([C@@H]5NC(C(=O)N5C6=CC=CC=C64)(C)C)OC3=O)OC(=O)C

  • Inchi: InChI=1S/C29H30N4O6/c1-15(2)22(38-16(3)34)23-30-19-12-8-6-10-17(19)24(35)32(23)21-14-29(39-25(21)36)18-11-7-9-13-20(18)33-26(29)31-28(4,5)27(33)37/h6-13,15,21-22,26,31H,14H2,1-5H3/t21-,22+,26-,29+/m1/s1

  • Inchikey: IMOPNDYCCIZBPJ-STOWFVKWSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C29H30N4O6

  • Molecular weight: 530.60

  • Monoisotopic mass: 530.21653469

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