Clonostachin

  • Formula: C78H134N14O25

  • Molecular weight: 1668.00

  • Smiles: CCC(C)C(C(=O)OC(C(CO)O)C(C(CO)O)O)NC(=O)C(C)(CC)NC(=O)C1CC(CN1C(=O)C(C)(C)NC(=O)C(C)(CC)NC(=O)C(C)(C)NC(=O)C2CC(CN2C(=O)C(C)(CC)NC(=O)C(CC(C)C)NC(=O)C3CC(CN3C(=O)C(C)(CC)NC(=O)C(CC(C)C)NC(=O)C4CC(CN4C(=O)C(C)(C)NC(=O)C)O)O)O)O

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Clonostachin

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

Names

  • Mycotoxin name: Clonostachin

  • First synonym: Clonostachin

  • Synonyms: CLONOSTACHIN,CHEMBL2386697

Identifiers / External links

Structure

  • Smiles: CCC(C)C(C(=O)OC(C(CO)O)C(C(CO)O)O)NC(=O)C(C)(CC)NC(=O)C1CC(CN1C(=O)C(C)(C)NC(=O)C(C)(CC)NC(=O)C(C)(C)NC(=O)C2CC(CN2C(=O)C(C)(CC)NC(=O)C(CC(C)C)NC(=O)C3CC(CN3C(=O)C(C)(CC)NC(=O)C(CC(C)C)NC(=O)C4CC(CN4C(=O)C(C)(C)NC(=O)C)O)O)O)O

  • Isomeric smiles: CC[C@H](C)[C@H](C(=O)O[C@H]([C@@H](CO)O)[C@@H]([C@@H](CO)O)O)NC(=O)[C@@](C)(CC)NC(=O)[C@@H]1C[C@H](CN1C(=O)C(C)(C)NC(=O)[C@@](C)(CC)NC(=O)C(C)(C)NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@](C)(CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@](C)(CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]4C[C@H](CN4C(=O)C(C)(C)NC(=O)C)O)O)O)O

  • Inchi: InChI=1S/C78H134N14O25/c1-22-41(10)55(64(109)117-57(54(101)38-94)56(102)53(100)37-93)81-66(111)75(18,23-2)86-63(108)52-32-45(98)34-90(52)69(114)74(16,17)87-67(112)76(19,24-3)88-65(110)72(12,13)83-62(107)51-31-46(99)36-92(51)71(116)78(21,26-5)85-59(104)48(28-40(8)9)80-61(106)50-30-44(97)35-91(50)70(115)77(20,25-4)84-58(103)47(27-39(6)7)79-60(105)49-29-43(96)33-89(49)68(113)73(14,15)82-42(11)95/h39-41,43-57,93-94,96-102H,22-38H2,1-21H3,(H,79,105)(H,80,106)(H,81,111)(H,82,95)(H,83,107)(H,84,103)(H,85,104)(H,86,108)(H,87,112)(H,88,110)/t41-,43+,44+,45+,46+,47-,48-,49-,50-,51-,52-,53+,54+,55+,56+,57+,75+,76+,77-,78+/m0/s1

  • Inchikey: FXTKDCWUFZIDPM-QPEYCMPISA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C78H134N14O25

  • Molecular weight: 1668.00

  • Monoisotopic mass: 1666.96445582

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