Products 70402-10-7

CAS 70402-10-7 is the registry number for Neopatulin. Offered by: Chemat Brand, MedChemExpress. Available pack sizes: on request, Get quote.

Neopatulin
Chemat Brand, MedChemExpress
  • size: on request, Get quote
  • Variants: 2
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Structural formula: {0} (CAS {1})

Isopatulin is a furopyran and lactone that is (2H-pyran-3(6H)-ylidene)acetic acid which is substituted by hydroxy groups at positions 4 an 6 and in which the hydroxy group at position 4 has condensed with the carboxy group to give the corresponding bicyclic lactone. Also known as neopatulin, it is a mycotoxic substance produced by Aspergillus and Penicillium species. It has a role as a mycotoxin, an antibacterial agent and a Penicillium metabolite. It is a gamma-lactone, a lactol and a furopyran.

Source: ChEBI

Identity
Molecular formulaC7H6O4
Molecular weight154.12 g/mol
IUPAC name6-hydroxy-4,6-dihydrofuro[3,2-c]pyran-2-one
InChIKeyZGBMSNKHUHZKEP-UHFFFAOYSA-N
SMILESC1C2=CC(=O)OC2=CC(O1)O

Computed by PubChem (NCBI)

Synonyms: isopatulin, 6-hydroxy-4,6-dihydrofuro[3,2-c]pyran-2-one, 6-hydroxy-4,6-dihydrofuro(3,2-c)pyran-2-one, neopatulin, 6-hydroxy-4H-Furo[3,2-c]pyran-2(6H)-one, 4H-Furo(3,2-c)pyran-2(6H)-one, 6-hydroxy-, 3-hydroxy-4,9-dioxabicyclo[4.3.0]nona-1,6-dien-8-one, Isopatulin / Neopatulin, orb3141977
Isomers (same molecular formula)
3,4-dihydroxybenzoic acid C7H6O4
3,4,5-trihydroxybenzaldehyde C7H6O4
methyl 5-formylfuran-2-carboxylate C7H6O4
2,4,5-trihydroxybenzaldehyde C7H6O4
2-methyl-6-oxopyran-3-carboxylic acid C7H6O4
6-methyl-4-oxopyran-2-carboxylic acid C7H6O4
methyl 2-(furan-2-yl)-2-oxoacetate C7H6O4
2,3,4-trihydroxybenzaldehyde C7H6O4
2,3-dihydroxybenzoic acid C7H6O4
3,5-dihydroxybenzoic acid C7H6O4
4-hydroxy-4,6-dihydrofuro[3,2-c](213C)pyran-2-one C7H6O4
2,5-dihydroxybenzoic acid C7H6O4