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Chaetoglobosin e

  • Formula: C32H38N2O5

  • Molecular weight: 530.70

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

  • Type: Cytochalasan

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Chaetoglobosin e

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

Names

  • Mycotoxin name: Chaetoglobosin e

  • First synonym: Chaetoglobosin e

  • Synonyms: Chaetoglobosin E,CHEBI:68731,Cheatoglobosin E,SCHEMBL33710,CHEMBL505481,FPNAKNFLJIQADW-CNYNBRRPSA-,55945-74-9,Q27137150,(3S,3aR,6S,6aR,7E,10S,11E,14S,17aR)-6,14-dihydroxy-3-(1H-indol-3-ylmethyl)-4,5,10,12-tetramethyl-3,3a,6,6a,9,10,15,16-octahydro-1H-cyclotrideca[d]isoindole-1,13,17(2H,14H)-trione

Identifiers / External links

Structure

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

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

  • Inchi: InChI=1S/C32H38N2O5/c1-17-8-7-10-23-30(38)20(4)19(3)28-25(15-21-16-33-24-11-6-5-9-22(21)24)34-31(39)32(23,28)27(36)13-12-26(35)29(37)18(2)14-17/h5-7,9-11,14,16-17,23,25-26,28,30,33,35,38H,8,12-13,15H2,1-4H3,(H,34,39)/b10-7+,18-14+/t17-,23-,25-,26-,28-,30+,32+/m0/s1

  • Inchikey: FPNAKNFLJIQADW-CNYNBRRPSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C32H38N2O5

  • Molecular weight: 530.70

  • Monoisotopic mass: 530.27807232

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