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Prochaetoglobosin i

  • Formula: C32H38N2O2

  • Molecular weight: 482.70

  • Smiles: CC1CC=CC2C=C(C(C3C2(C(=O)C=CCCC(=C1)C)C(=O)NC3CC4=CNC5=CC=CC=C54)C)C

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Prochaetoglobosin i

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

Names

  • Mycotoxin name: Prochaetoglobosin i

  • First synonym: Prochaetoglobosin i

  • Synonyms: prochaetoglobosin I,CHEBI:68739,Q27137158,(3S,3aR,4S,6aS,7E,10S,11E,15Z,17aS)-3-(1H-indol-3-ylmethyl)-4,5,10,12-tetramethyl-3,3a,4,6a,9,10,13,14-octahydro-1H-cyclotrideca[d]isoindole-1,17(2H)-dione

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Structure

  • Smiles: CC1CC=CC2C=C(C(C3C2(C(=O)C=CCCC(=C1)C)C(=O)NC3CC4=CNC5=CC=CC=C54)C)C

  • Isomeric smiles: C[C@H]/1C/C=C/[C@H]2C=C([C@H]([C@@H]3C2(C(=O)/C=C/CC/C(=C1)/C)C(=O)N[C@H]3CC4=CNC5=CC=CC=C54)C)C

  • Inchi: InChI=1S/C32H38N2O2/c1-20-10-5-8-15-29(35)32-25(12-9-11-21(2)16-20)17-22(3)23(4)30(32)28(34-31(32)36)18-24-19-33-27-14-7-6-13-26(24)27/h6-9,12-17,19,21,23,25,28,30,33H,5,10-11,18H2,1-4H3,(H,34,36)/b12-9+,15-8+,20-16-/t21-,23+,25-,28-,30-,32?/m0/s1

  • Inchikey: PAFRQNXHHHYHMF-BMDIVSFWSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C32H38N2O2

  • Molecular weight: 482.70

  • Monoisotopic mass: 482.293328459

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