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Phaseic acid

  • Formula: C15H20O5

  • Molecular weight: 280.32

  • Smiles: CC(=CC(=O)O)C=CC1(C2(CC(=O)CC1(OC2)C)C)O

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Phaseic acid

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

  • Mycotoxin name: Phaseic acid

  • First synonym: None

  • Synonyms: Phaseic acid,24394-14-7,(-)-Phaseic acid,(-)-Neophasic acid,YL2MMW26MJ,(2Z,4E)-5-[(1R,5R,8S)-8-hydroxy-1,5-dimethyl-3-oxo-6-oxabicyclo[3.2.1]octan-8-yl]-3-methylpenta-2,4-dienoic acid,CHEBI:28205,(2Z,4E)-3-Methyl-5-[(1S)-1beta-hydroxy-2,6-dimethyl-6beta,2beta-(epoxymethano)-4-oxocyclohexane-1-yl]-2,4-pentadienoic acid,(7E,9Z)-(1R,5R,6S)-5,16-epoxy-6-hydroxy-3-oxo-5,6-dihydro-11-apo-beta-caroten-11-oic acid,(2Z,4E)-5-((1R,5R,8S)-8-Hydroxy-1,5-dimethyl-3-oxo-6-oxabicyclo(3.2.1)oct-8-yl)-3-methyl-2,4-pentadienoic acid,(2Z,4E)-5-[(1R,5R,8S)-8-hydroxy-1,5-dimethyl-3-oxo-6-oxabicyclo[3.2.1]oct-8-yl]-3-methylpenta-2,4-dienoic acid,2,4-Pentadienoic acid, 5-((1R,5R,8S)-8-hydroxy-1,5-dimethyl-3-oxo-6-oxabicyclo(3.2.1)oct-8-yl)-3-methyl-, (2Z,4E)-,2,4-Pentadienoic acid, 5-(8-hydroxy-1,5-dimethyl-3-oxo-6-oxabicyclo(3.2.1)oct-8-yl)-3-methyl-,2,4-PENTADIENOIC ACID, 5-(8-HYDROXY-1,5-DIMETHYL-3-OXO-6-OXABICYCLO(3.2.1)OCT-8-YL)-3-METHYL-, (1R-(1.ALPHA.,5.ALPHA.,8S*(2Z,4E)))-,2,4-Pentadienoic acid, 5-(8-hydroxy-1,5-dimethyl-3-oxo-6-oxabicyclo(3.2.1)oct-8-yl)-3-methyl-, (1R-(1alpha,5alpha,8S*(2Z,4E)))-,2,4-Pentadienoic acid, 5-(8-hydroxy-1,5-dimethyl-3-oxo-6-oxabicyclo[3.2.1]oct-8-yl)-3-methyl-,2,4-Pentadienoic acid, 5-(8-hydroxy-1,5-dimethyl-3-oxo-6-oxabicyclo[3.2.1]oct-8-yl)-3-methyl-, [1R-[1.alpha.,5.alpha.,8S*(2Z,4E)]]-,(2Z,4E)-5-((1R,5R,8S)-8-hydroxy-1,5-dimethyl-3-oxo-6-oxabicyclo(3.2.1)oct-8-yl)-3-methylpenta-2,4-dienoic acid,(2Z,4E)-5-((1R,5R,8S)-8-hydroxy-1,5-dimethyl-3-oxo-6-oxabicyclo(3.2.1)oct-8-yl)-3-methylpenta-2,4-dienoic acid (7E,9Z)-(1R,5R,6S)-5,16-epoxy-6-hydroxy-3-oxo-5,6-dihydro-11-apo-beta-caroten-11-oic acid,(2Z,4E)-5-((1R,5R,8S)-8-hydroxy-1,5-dimethyl-3-oxo-6-oxabicyclo(3.2.1)octan-8-yl)-3-methylpenta-2,4-dienoic acid,(2Z,4E)-5-((5R,8S)-8-Hydroxy-1,5-dimethyl-3-oxo-6-oxabicyclo(3.2.1)octan-8-yl)-3-methylpenta-2,4-dienoate,(2Z,4E)-5-[(1R,5R,8S)-8-Hydroxy-1,5-dimethyl-3-oxo-6-oxabicyclo[3.2.1]oct-8-yl]-3-methyl-2,4-pentadienoic acid,(2Z,4E)-5-[(1R,5R,8S)-8-hydroxy-1,5-dimethyl-3-oxo-6-oxabicyclo[3.2.1]oct-8-yl]-3-methylpenta-2,4-dienoic acid (7E,9Z)-(1R,5R,6S)-5,16-epoxy-6-hydroxy-3-oxo-5,6-dihydro-11-apo-beta-caroten-11-oic acid,(2Z,4E)-5-[(5R,8S)-8-Hydroxy-1,5-dimethyl-3-oxo-6-oxabicyclo[3.2.1]octan-8-yl]-3-methylpenta-2,4-dienoate,UNII-YL2MMW26MJ,6-Oxabicyclo(3.2.1)octane, 2,4-pentadienoic acid deriv.,6-Oxabicyclo[3.2.1]octane, 2,4-pentadienoic acid deriv.,CHEMBL3594247,DTXSID801028483,2,4-Pentadienoic acid, 5-(8-hydroxy-1,5-dimethyl-3-oxo-6-oxabicyclo[3.2.1]oct-8-yl)-3-methyl-, [1R-[1.alpha.,5.alpha.,8S*(Z,E)]]-,DA-59501,MS-23977,HY-111973,CS-0094770,C09707,G88935,Q7180977,2,4-Pentadienoic acid, 5-(8-hydroxy-1,5-dimethyl-3-oxo-6-oxabicyclo(3.2.1)oct-8-yl)-3-methyl-, (1R-(1alpha,5alpha,8S*(Z,E)))-

Identifiers / External links

Structure

  • Smiles: CC(=CC(=O)O)C=CC1(C2(CC(=O)CC1(OC2)C)C)O

  • Isomeric smiles: C/C(=C/C(=O)O)/C=C/[C@@]1([C@@]2(CC(=O)C[C@]1(OC2)C)C)O

  • Inchi: InChI=1S/C15H20O5/c1-10(6-12(17)18)4-5-15(19)13(2)7-11(16)8-14(15,3)20-9-13/h4-6,19H,7-9H2,1-3H3,(H,17,18)/b5-4+,10-6-/t13-,14-,15+/m1/s1

  • Inchikey: IZGYIFFQBZWOLJ-UUZREKTLSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C15H20O5

  • Molecular weight: 280.32

  • Monoisotopic mass: 280.13107373

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