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Aurantiogliocladin

CAT: 0804-HY-W399439Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-W399439Size:1 Each
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Description
Aurantiogliocladin is a weak antibiotic which was active against Staphylococcus epidermidis but not S. aureus. Aurantiogliocladin could inhibit biofilm formation[1].
CAS Number
483-54-5
UNSPSC
12352211
Hazard Statement
H302-H315-H319-H335
Target
Antibiotic; Bacterial
Related Pathways
Anti-infection
Field of Research
Infection
Smiles
O=C1C(OC)=C(C(C(C)=C1C)=O)OC
Molecular Formula
C10H12O4
Molecular Weight
196.20
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
References & Citations
[1]Yuyama KT, et al. Aurantiogliocladin inhibits biofilm formation at subtoxic concentrations. AIMS Microbiol. 2017 Jan 24;3 (1) :50-60.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Aurantiogliocladin

aurantiogliocladin has been reported in Clonostachys candelabrum and Clonostachys rosea with data available.

CAS Number483-54-5
PubChem CID12299893
IUPAC Name2,3-dimethoxy-5,6-dimethylcyclohexa-2,5-diene-1,4-dione
Molecular FormulaC10H12O4
Molecular Weight196.20
XLogP1.3
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity326
SMILES
CC1=C(C(=O)C(=C(C1=O)OC)OC)C
InChI
InChI=1S/C10H12O4/c1-5-6(2)8(12)10(14-4)9(13-3)7(5)11/h1-4H3
InChIKey
NOYQJVWDVBANHI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Aurantiogliocladin
CAS: 483-54-5
CID: 12299893
Formula: C10H12O4
MW: 196.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight196.20
XLogP31.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass196.07355886
Monoisotopic Mass196.07355886
Topological Polar Surface Area52.6 Ų
Heavy Atom Count14
Formal Charge0
Complexity326
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19249137-01Aurantiogliocladin

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