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Circumdatin H

  • Formula: C20H17N3O3

  • Molecular weight: 347.40

  • Smiles: COC1=CC2=C(C=C1)N=C3C4CCCN4C(=O)C5=CC=CC=C5N3C2=O

  • Type: Benzodiazepine alkaloid

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Circumdatin H

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

Names

  • Mycotoxin name: Circumdatin H

  • First synonym: None

  • Synonyms: Circumdatin H,Circumdatine H,(-)-Circumdatin H,3BS8YZ86VK,UNII-3BS8YZ86VK,(S)-(-)-circumdatin H,868528-39-6,CHEBI:65634,(15aS)-13,14,15,15a-Tetrahydro-3-methoxy-5H,11H-pyrrolo(2,1-C)quinazolino(3,2-a)(1,4)benzodiazepine-5,11-dione,10H,15H-Pyrrolo(2,1-C)quinazolino(3,2-a)(1,4)benzodiazepine-10,15-dione, 5b,6,7,8-tetrahydro-2-methoxy-, (6bS)-,(5bS)-2-methoxy-5b,6,7,8-tetrahydro-10H,16H-pyrrolo[2,1-c]quinazolino[3,2-a][1,4]benzodiazepine-10,16-dione,CHEMBL2435957,DTXSID601045685,Q16247724

Identifiers / External links

Structure

  • Smiles: COC1=CC2=C(C=C1)N=C3C4CCCN4C(=O)C5=CC=CC=C5N3C2=O

  • Isomeric smiles: COC1=CC2=C(C=C1)N=C3[C@@H]4CCCN4C(=O)C5=CC=CC=C5N3C2=O

  • Inchi: InChI=1S/C20H17N3O3/c1-26-12-8-9-15-14(11-12)20(25)23-16-6-3-2-5-13(16)19(24)22-10-4-7-17(22)18(23)21-15/h2-3,5-6,8-9,11,17H,4,7,10H2,1H3/t17-/m0/s1

  • Inchikey: MLEAYJRUKNTODR-KRWDZBQOSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C20H17N3O3

  • Molecular weight: 347.40

  • Monoisotopic mass: 347.12699141

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