Ascherxanthone A

  • Formula: C32H34O10

  • Molecular weight: 578.60

  • Smiles: CC1=CC2=C(C(=C1C3=C(C4=C(C=C3C)OC5(C(C(CC=C5C4=O)OC)O)C)O)O)C(=O)C6=CCC(C(C6(O2)C)O)OC

  • Type: Xanthone

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Ascherxanthone A

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

Names

  • Mycotoxin name: Ascherxanthone A

  • First synonym: None

  • Synonyms: Ascherxanthone A,CHEMBL499739,(3S,4R,4aR)-7-[(5R,6S,10aR)-1,5-dihydroxy-6-methoxy-3,10a-dimethyl-9-oxo-6,7-dihydro-5H-xanthen-2-yl]-4,8-dihydroxy-3-methoxy-4a,6-dimethyl-3,4-dihydro-2H-xanthen-9-one

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Structure

  • Smiles: CC1=CC2=C(C(=C1C3=C(C4=C(C=C3C)OC5(C(C(CC=C5C4=O)OC)O)C)O)O)C(=O)C6=CCC(C(C6(O2)C)O)OC

  • Isomeric smiles: CC1=CC2=C(C(=C1C3=C(C4=C(C=C3C)O[C@]5([C@@H]([C@H](CC=C5C4=O)OC)O)C)O)O)C(=O)C6=CC[C@@H]([C@H]([C@@]6(O2)C)O)OC

  • Inchi: InChI=1S/C32H34O10/c1-13-11-19-23(25(33)15-7-9-17(39-5)29(37)31(15,3)41-19)27(35)21(13)22-14(2)12-20-24(28(22)36)26(34)16-8-10-18(40-6)30(38)32(16,4)42-20/h7-8,11-12,17-18,29-30,35-38H,9-10H2,1-6H3/t17-,18-,29+,30+,31+,32+/m0/s1

  • Inchikey: RLBXNYCARFXYIU-RIJKSYFQSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C32H34O10

  • Molecular weight: 578.60

  • Monoisotopic mass: 578.21519728

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Fungi

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