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Chaetoglobosin q

  • Formula: C32H38N2O6

  • Molecular weight: 546.70

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

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Chaetoglobosin q

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

Names

  • Mycotoxin name: Chaetoglobosin q

  • First synonym: Chaetoglobosin q

  • Synonyms: Chaetoglobosin Q,CHEBI:68736,CHEMBL443917,Q27137155,(3S,3aR,4S,5R,6S,6aR,7E,10S,11E,13R,15E,17aR)-5,6,13-trihydroxy-3-(1H-indol-3-ylmethyl)-4,5,10,12-tetramethyl-2,3,3a,4,5,6,6a,9,10,13-decahydro-1H-cyclotrideca[d]isoindole-1,14,17-trione

Identifiers / External links

Structure

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

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

  • Inchi: InChI=1S/C32H38N2O6/c1-17-8-7-10-22-29(38)31(4,40)19(3)27-24(15-20-16-33-23-11-6-5-9-21(20)23)34-30(39)32(22,27)26(36)13-12-25(35)28(37)18(2)14-17/h5-7,9-14,16-17,19,22,24,27-29,33,37-38,40H,8,15H2,1-4H3,(H,34,39)/b10-7+,13-12+,18-14+/t17-,19-,22-,24-,27-,28+,29-,31+,32+/m0/s1

  • Inchikey: GXXPQGPTEVHUTJ-VOXRAUTJSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C32H38N2O6

  • Molecular weight: 546.70

  • Monoisotopic mass: 546.27298694

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