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Deoxaphomin

  • Formula: C29H37NO4

  • Molecular weight: 463.60

  • Smiles: CC1CCCC(C=CC(=O)C23C(C=CC1)C(C(=C)C(C2C(NC3=O)CC4=CC=CC=C4)C)O)O

  • Type: Cytochalasan

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Deoxaphomin

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

  • Mycotoxin name: Deoxaphomin

  • First synonym: Deoxaphomin

  • Synonyms: DEOXAPHOMIN,CHEMBL2253152

Identifiers / External links

Structure

  • Smiles: CC1CCCC(C=CC(=O)C23C(C=CC1)C(C(=C)C(C2C(NC3=O)CC4=CC=CC=C4)C)O)O

  • Isomeric smiles: C[C@@H]1CCC[C@H](/C=C/C(=O)[C@]23[C@@H](/C=C/C1)[C@@H](C(=C)[C@H]([C@H]2[C@@H](NC3=O)CC4=CC=CC=C4)C)O)O

  • Inchi: InChI=1S/C29H37NO4/c1-18-9-7-13-22(31)15-16-25(32)29-23(14-8-10-18)27(33)20(3)19(2)26(29)24(30-28(29)34)17-21-11-5-4-6-12-21/h4-6,8,11-12,14-16,18-19,22-24,26-27,31,33H,3,7,9-10,13,17H2,1-2H3,(H,30,34)/b14-8+,16-15+/t18-,19-,22-,23+,24+,26+,27-,29-/m1/s1

  • Inchikey: GPCJCBIEJCXNKC-TYHYBEHESA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C29H37NO4

  • Molecular weight: 463.60

  • Monoisotopic mass: 463.27225866

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