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Asperglaucin A

CAT: 0013-GTR19220391-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19220391-01Size:5 mg
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Description
Asperglaucin A is a phthalide-like compound with notable antibacterial properties. It shows potent in vitro activity against plant pathogens such as Pseudomonas syringae pv. actinidae and Bacillus cereus, with a reported MIC of 6.25 μM, making it a candidate for agricultural bactericide research.
CAS Number
2701570-79-6
Field of Research
Infectious Disease & Virology, Metabolism Research
Smiles
[C@H] (CCCCC) (O) [C@@]1 (C=2C (=C (O) C (CC=C (C) C) =CC2O) C (=O) S1) [H]
Molecular Formula
C19H26O4S
Molecular Weight
350.47
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Asperglaucin A
CAS Number2701570-79-6
PubChem CID162679349
IUPAC Name(3S)-4,7-dihydroxy-3-[(1R)-1-hydroxyhexyl]-6-(3-methylbut-2-enyl)-3H-2-benzothiophen-1-one
Molecular FormulaC19H26O4S
Molecular Weight350.5
XLogP5.4
Topological Polar Surface Area103
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count24
Formal Charge0
Complexity460
SMILES
CCCCC[C@H]([C@@H]1C2=C(C=C(C(=C2C(=O)S1)O)CC=C(C)C)O)O
InChI
InChI=1S/C19H26O4S/c1-4-5-6-7-13(20)18-15-14(21)10-12(9-8-11(2)3)17(22)16(15)19(23)24-18/h8,10,13,18,20-22H,4-7,9H2,1-3H3/t13-,18-/m1/s1
InChIKey
ZUNAGDCYBXZQBT-FZKQIMNGSA-N
Chemical Structure
2D Structure
2D structure of Asperglaucin A
CAS: 2701570-79-6
CID: 162679349
Formula: C19H26O4S
MW: 350.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight350.5
XLogP35.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass350.15518048
Monoisotopic Mass350.15518048
Topological Polar Surface Area103 Ų
Heavy Atom Count24
Formal Charge0
Complexity460
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-N10280Asperglaucin A
HY-N10281Asperglaucin B

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