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Frequentin

CAT: 0013-GTR19197568-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19197568-01Size:25 mg
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Description
Frequentin is a natural antibiotic isolated from Penicillium frequentans, exhibiting antibacterial activity against Bacillus subtilis (MIC 200 μg/ml) and Staphylococcus aureus (MIC 300 μg/ml), as well as antifungal properties. This compound is a useful research tool for in vitro studies of microbial inhibition and natural product pharmacology.
CAS Number
29119-03-7
Field of Research
Infectious Disease & Virology
Smiles
CCCC=CC=CC1CC (O) C (O) C (=O) C1C=O
Molecular Formula
C14H20O4
Molecular Weight
252.31
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Frequentin

Frequentin is an antibiotic produced by Penicillium frequentans Westling. It has a role as a Penicillium metabolite. It is a hydroxycyclohexanone and a carbocyclic antibiotic.

CAS Number29119-03-7
PubChem CID5461035
IUPAC Name(1R,3R,4R)-6-[(1E,3E)-hepta-1,3-dienyl]-3,4-dihydroxy-2-oxocyclohexane-1-carbaldehyde
Molecular FormulaC14H20O4
Molecular Weight252.31
XLogP1.3
Topological Polar Surface Area74.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count18
Formal Charge0
Complexity346
SMILES
CCC/C=C/C=C/C1C[C@H]([C@H](C(=O)[C@H]1C=O)O)O
InChI
InChI=1S/C14H20O4/c1-2-3-4-5-6-7-10-8-12(16)14(18)13(17)11(10)9-15/h4-7,9-12,14,16,18H,2-3,8H2,1H3/b5-4+,7-6+/t10?,11-,12+,14+/m0/s1
InChIKey
MHZVWXOKIRZLCJ-RVZXZRSKSA-N
Chemical Structure
2D Structure
2D structure of Frequentin
CAS: 29119-03-7
CID: 5461035
Formula: C14H20O4
MW: 252.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight252.31
XLogP31.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass252.13615911
Monoisotopic Mass252.13615911
Topological Polar Surface Area74.6 Ų
Heavy Atom Count18
Formal Charge0
Complexity346
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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