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Fructigenine A

  • Formula: C27H29N3O3

  • Molecular weight: 443.50

  • Smiles: CC(=O)N1C2C(CC3N2C(=O)C(NC3=O)CC4=CC=CC=C4)(C5=CC=CC=C51)C(C)(C)C=C

  • Type: Diketopiperazine alkaloid

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Fructigenine A

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

Names

  • Mycotoxin name: Fructigenine A

  • First synonym: None

  • Synonyms: Fructigenine A,NSC637143,127926-11-8,(1R,4S,9R)-16-acetyl-4-benzyl-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione,CHEMBL1982258,NSC-637143,NCI60_012315

Identifiers / External links

Structure

  • Smiles: CC(=O)N1C2C(CC3N2C(=O)C(NC3=O)CC4=CC=CC=C4)(C5=CC=CC=C51)C(C)(C)C=C

  • Isomeric smiles: CC(=O)N1[C@@H]2[C@@](CC3N2C(=O)[C@@H](NC3=O)CC4=CC=CC=C4)(C5=CC=CC=C51)C(C)(C)C=C

  • Inchi: InChI=1S/C27H29N3O3/c1-5-26(3,4)27-16-22-23(32)28-20(15-18-11-7-6-8-12-18)24(33)30(22)25(27)29(17(2)31)21-14-10-9-13-19(21)27/h5-14,20,22,25H,1,15-16H2,2-4H3,(H,28,32)/t20-,22?,25-,27+/m0/s1

  • Inchikey: UHFSGFDEMVYYRX-ZXVJBGIBSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C27H29N3O3

  • Molecular weight: 443.50

  • Monoisotopic mass: 443.2208918

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