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Dehydrovariecolorin l

  • Formula: C29H37N3O2

  • Molecular weight: 459.60

  • Smiles: CC1C(=O)NC(=CC2=C(NC3=C2C(=C(C=C3)CC=C(C)C)CC=C(C)C)C(C)(C)C=C)C(=O)N1

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Dehydrovariecolorin l

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

Names

  • Mycotoxin name: Dehydrovariecolorin l

  • First synonym: Dehydrovariecolorin l

  • Synonyms: Dehydrovariecolorin L,(6S)-3-[(Z)-[2-(1,1-Dimethyl-2-propenyl)-4,5-bis(3-methyl-2-butenyl)-1H-indole-3-yl]methylene]-6-methylpiperazine-2,5-dione

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Structure

  • Smiles: CC1C(=O)NC(=CC2=C(NC3=C2C(=C(C=C3)CC=C(C)C)CC=C(C)C)C(C)(C)C=C)C(=O)N1

  • Isomeric smiles: C[C@H]1C(=O)N/C(=C\C2=C(NC3=C2C(=C(C=C3)CC=C(C)C)CC=C(C)C)C(C)(C)C=C)/C(=O)N1

  • Inchi: InChI=1S/C29H37N3O2/c1-9-29(7,8)26-22(16-24-28(34)30-19(6)27(33)32-24)25-21(14-11-18(4)5)20(12-10-17(2)3)13-15-23(25)31-26/h9-11,13,15-16,19,31H,1,12,14H2,2-8H3,(H,30,34)(H,32,33)/b24-16-/t19-/m0/s1

  • Inchikey: QSQTZUHCCQQTGU-UZXDDYOISA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C29H37N3O2

  • Molecular weight: 459.60

  • Monoisotopic mass: 459.28857743

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