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q 20547a

  • Formula: C40H36N6O4

  • Molecular weight: 664.70

  • Smiles: C1C2C(=O)NC(C(=O)N2C3C1(C4=CC=CC=C4N3)C56CC7C(=O)NC(C(=O)N7C5NC8=CC=CC=C68)CC9=CC=CC=C9)CC1=CC=CC=C1

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q 20547a

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

Names

  • Mycotoxin name: q 20547a

  • First synonym: None

  • Synonyms: Win 64821,Win-64821,CHEMBL504788,150881-27-9,(1R,4S,7S,9R)-4-Benzyl-9-[(1R,4S,7S,9R)-4-benzyl-3,6-dioxo-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-trien-9-yl]-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione,MLS001050050,(+)-Win 64821,Q 20547A,SCHEMBL17787447,DTXSID40934113,HMS2228L19,BDBM50292417,NCGC00247630-01,SMR000545189,(3S,5aR,10bR,11aS,3''S,5''R,11''R)-3,3''-Dibenzyl-2,3,5a,6,11,11a,2'',3'',5''a,6'',11'',11''a-dodecahydro-[10b,10''b]bi[pyrazino[1'',2'':1,5]pyrrolo[2,3-b]indolyl]-1,4,1'',4''-tetraone,3,3'-Dibenzyl-1,1'-dihydroxy-5a,5'a,6,6',11,11',11a,11'a-octahydro[10b,10'b-bipyrazino[1',2':1,5]pyrrolo[2,3-b]indole]-4,4'(3H,3'H)-dione,Chaetocin, 2,5:2',5'-dide(epidithio)-3,3'-didemethyl-19,19'-dideoxy-19,19'-diphenyl-, (2alpha,2'beta,5beta,5'alpha)-

Identifiers / External links

Structure

  • Smiles: C1C2C(=O)NC(C(=O)N2C3C1(C4=CC=CC=C4N3)C56CC7C(=O)NC(C(=O)N7C5NC8=CC=CC=C68)CC9=CC=CC=C9)CC1=CC=CC=C1

  • Isomeric smiles: C1[C@H]2C(=O)N[C@H](C(=O)N2[C@@H]3[C@]1(C4=CC=CC=C4N3)[C@]56C[C@H]7C(=O)N[C@H](C(=O)N7[C@H]5NC8=CC=CC=C68)CC9=CC=CC=C9)CC1=CC=CC=C1

  • Inchi: InChI=1S/C40H36N6O4/c47-33-31-21-39(25-15-7-9-17-27(25)43-37(39)45(31)35(49)29(41-33)19-23-11-3-1-4-12-23)40-22-32-34(48)42-30(20-24-13-5-2-6-14-24)36(50)46(32)38(40)44-28-18-10-8-16-26(28)40/h1-18,29-32,37-38,43-44H,19-22H2,(H,41,47)(H,42,48)/t29-,30-,31-,32-,37+,38+,39-,40-/m0/s1

  • Inchikey: ZEANERNKMXBETI-BJHDJDSNSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C40H36N6O4

  • Molecular weight: 664.70

  • Monoisotopic mass: 664.27980365

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