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Aspoquinolone a

  • Formula: C27H31NO6

  • Molecular weight: 465.50

  • Smiles: CC1(C2CC2C(O1)(C)C=CC3=C(C4=C(C=C3)NC(=O)C(C4(C5=CC=C(C=C5)OC)O)OC)O)C

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Aspoquinolone a

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

Names

  • Mycotoxin name: Aspoquinolone a

  • First synonym: Aspoquinolone a

  • Synonyms: Aspoquinolone A,CHEBI:177743,(3R,4R)-4,5-dihydroxy-3-methoxy-4-(4-methoxyphenyl)-6-[(E)-2-[(1S,2R,5R)-2,4,4-trimethyl-3-oxabicyclo[3.1.0]hexan-2-yl]ethenyl]-1,3-dihydroquinolin-2-one

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Structure

  • Smiles: CC1(C2CC2C(O1)(C)C=CC3=C(C4=C(C=C3)NC(=O)C(C4(C5=CC=C(C=C5)OC)O)OC)O)C

  • Isomeric smiles: C[C@]1([C@H]2C[C@H]2C(O1)(C)C)/C=C/C3=C(C4=C(C=C3)NC(=O)[C@@H]([C@]4(C5=CC=C(C=C5)OC)O)OC)O

  • Inchi: InChI=1S/C27H31NO6/c1-25(2)18-14-19(18)26(3,34-25)13-12-15-6-11-20-21(22(15)29)27(31,23(33-5)24(30)28-20)16-7-9-17(32-4)10-8-16/h6-13,18-19,23,29,31H,14H2,1-5H3,(H,28,30)/b13-12+/t18-,19+,23+,26-,27-/m1/s1

  • Inchikey: AISVMTZASACEBH-RSVMIURYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C27H31NO6

  • Molecular weight: 465.50

  • Monoisotopic mass: 465.21513771

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