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Cryptoechinuline g

  • Formula: C29H35N3O2

  • Molecular weight: 457.60

  • Smiles: CC(=CCC1=C(C2=C(C=C1)NC(=C2C=C3C(=O)NC(=C)C(=O)N3)C(C)(C)C=C)CC=C(C)C)C

  • Type: Indole alkaloid

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Cryptoechinuline g

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

Names

  • Mycotoxin name: Cryptoechinuline g

  • First synonym: Cryptoechinuline g

  • Synonyms: cryptoechinuline G,CHEMBL251474,68836-03-3

Identifiers / External links

Structure

  • Smiles: CC(=CCC1=C(C2=C(C=C1)NC(=C2C=C3C(=O)NC(=C)C(=O)N3)C(C)(C)C=C)CC=C(C)C)C

  • Isomeric smiles: CC(=CCC1=C(C2=C(C=C1)NC(=C2/C=C\3/C(=O)NC(=C)C(=O)N3)C(C)(C)C=C)CC=C(C)C)C

  • Inchi: InChI=1S/C29H35N3O2/c1-9-29(7,8)26-22(16-24-28(34)30-19(6)27(33)32-24)25-21(14-11-18(4)5)20(12-10-17(2)3)13-15-23(25)31-26/h9-11,13,15-16,31H,1,6,12,14H2,2-5,7-8H3,(H,30,34)(H,32,33)/b24-16-

  • Inchikey: HPZFXKBNCMYWKJ-JLPGSUDCSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C29H35N3O2

  • Molecular weight: 457.60

  • Monoisotopic mass: 457.27292737

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