Ochratoxin α
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Ochratoxin α
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CAS No:
19165-63-0
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Formula:
C11H9ClO5
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Chemical Name:
Ochratoxin α
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Synonyms:
1H-2-Benzopyran-7-carboxylic acid,5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-,(3R)-;7-Isochromancarboxylic acid,5-chloro-8-hydroxy-3-methyl-1-oxo-,(R)-;1H-2-Benzopyran-7-carboxylic acid,5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-,(R)-;(3R)-5-Chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-carboxylic acid;7-Carboxy-5-chloro-8-hydroxy-3,4-dihydro-3R-methylisocoumarin;Ochratoxin α;α-Ochratoxin;(R)-Ochratoxin α;4825-88-1;39405-95-3
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CAS No:
Description
Ochratoxin alpha is a member of the class of isocoumarins that is 1-oxo-3,4-dihydro-2-benzopyran-7-carboxylic acid carrying additional methyl, chloro and hydroxy substituents at positions 3, 5 and 8 respectively. A non-toxic metabolite of the mycotoxin ochratoxin A. It has a role as a bacterial xenobiotic metabolite, a human urinary metabolite, a human xenobiotic metabolite and a marine xenobiotic metabolite. It is a member of isochromanes, a member of isocoumarins, an organochlorine compound, a member of phenols and a member of benzoic acids.
Computed Properties
Molecular Weight:256.64
XLogP3:3.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:256.0138511
Monoisotopic Mass:256.0138511
Topological Polar Surface Area:83.8
Heavy Atom Count:17
Complexity:345
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Learn More Other Chemicals
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Ochratoxin A
303-47-9
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Ochratoxin B
4825-86-9
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Maduramicin α
79356-08-4
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Ochratoxin A-d5 Formula
666236-28-8
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