Logo Anses
Logo Interreg

Cicadapeptin ii

  • Formula: C50H90N10O11

  • Molecular weight: 1007.30

  • Smiles: CCCCCCCCCC(=O)N1CC(CC1C(=O)N2CC(CC2C(=O)NC(C(C)C)C(=O)NC(C)(C)C(=O)NC(CCC(=O)N)C(=O)NC(C)(C)C(=O)NC(C(C)CC)C(=O)NC(CC(C)C)CN)O)O

Download

Cicadapeptin ii

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

Names

  • Mycotoxin name: Cicadapeptin ii

  • First synonym: Cicadapeptin ii

  • Synonyms: cicadapeptin II,CHEMBL449446

Identifiers / External links

Structure

  • Smiles: CCCCCCCCCC(=O)N1CC(CC1C(=O)N2CC(CC2C(=O)NC(C(C)C)C(=O)NC(C)(C)C(=O)NC(CCC(=O)N)C(=O)NC(C)(C)C(=O)NC(C(C)CC)C(=O)NC(CC(C)C)CN)O)O

  • Isomeric smiles: CCCCCCCCCC(=O)N1C[C@@H](C[C@H]1C(=O)N2C[C@@H](C[C@H]2C(=O)N[C@@H](C(C)C)C(=O)NC(C)(C)C(=O)N[C@@H](CCC(=O)N)C(=O)NC(C)(C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)CN)O)O

  • Inchi: InChI=1S/C50H90N10O11/c1-12-14-15-16-17-18-19-20-39(64)59-27-34(62)25-37(59)46(69)60-28-33(61)24-36(60)43(66)55-40(30(5)6)45(68)58-49(8,9)47(70)54-35(21-22-38(52)63)42(65)57-50(10,11)48(71)56-41(31(7)13-2)44(67)53-32(26-51)23-29(3)4/h29-37,40-41,61-62H,12-28,51H2,1-11H3,(H2,52,63)(H,53,67)(H,54,70)(H,55,66)(H,56,71)(H,57,65)(H,58,68)/t31-,32-,33+,34+,35-,36-,37-,40-,41-/m0/s1

  • Inchikey: XARWTRNVQZILGP-AACUSYOXSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C50H90N10O11

  • Molecular weight: 1007.30

  • Monoisotopic mass: 1006.67905373

Select an endpoint:

Endpoint Tool QSAR ID Value Unit Comments Reference

Select an endpoint:

Category Endpoint Tool QSAR ID Value Unit Comments Reference

Select an endpoint:

Category Sub category Endpoint Tool QSAR ID Value Unit Comments Reference

Select an endpoint:

Endpoint Tool Value Unit Comments Reference

Fungi