Molecular Identity
patulin
4-hydroxy-4,6-dihydrofuro[3,2-c]pyran-2-one
PubChem CID: 4696
Patulin is a furopyran and lactone that is (2H-pyran-3(6H)-ylidene)acetic acid which is substituted by hydroxy groups at positions 2 and 4 and in which the hydroxy group at position 4 has condensed with the carboxy group to give the corresponding bicyclic lactone. A mycotoxin produced by several species of Aspergillus and Penicillium, it has antibiotic properties but has been shown to be carcinogenic and mutagenic. It has a role as a mutagen, a mycotoxin, an antimicrobial agent, a carcinogenic agent, an Aspergillus metabolite and a Penicillium metabolite. It is a gamma-lactone, a lactol and a furopyran.
2D Structure
Properties
C7H6O4
Molecular Formula
154.12
Molecular Weight
g/mol
154.0266
Exact Mass
Da
-1
XLogP
Drug-like (Lipinski: < 5)
55.8
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
4
H-Bond Acceptors
264
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
patulin149-29-1ClavacinClavatinExpansineExpansinPatulineClaviforminClaviformClairforminLeucopinTerininMycoin C3GigantinPenicidin
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to patulin
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