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Asperglaucin B

CAT: 0931-T75468-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T75468-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2701570-80-9
Target
Others, Antibacterial
Related Pathways
Microbiology/Virology, Others
Bioactivity
Asperglaucin B, an alkylated salicylaldehyde derivative isolated from the fungus Aspergillus chevalieri SQ-8, exhibits significant antibacterial properties. This compound demonstrates potent activity against the plant pathogens Pseudomonas syringae pv actinidae (Psa) and Bacillus cereus, achieving a minimum inhibitory concentration (MIC) value of 6.25 μM [1].
Smiles
C(=O)C1=C2C(=CC(O)=C1CCCCCCC)C=CC(C)(C)O2
Molecular Formula
C19H26O3
Molecular Weight
302.41
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Asperglaucin B
CAS Number2701570-80-9
PubChem CID162679350
IUPAC Name7-heptyl-6-hydroxy-2,2-dimethylchromene-8-carbaldehyde
Molecular FormulaC19H26O3
Molecular Weight302.4
XLogP5.5
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Heavy Atom Count22
Formal Charge0
Complexity388
SMILES
CCCCCCCC1=C(C=C2C=CC(OC2=C1C=O)(C)C)O
InChI
InChI=1S/C19H26O3/c1-4-5-6-7-8-9-15-16(13-20)18-14(12-17(15)21)10-11-19(2,3)22-18/h10-13,21H,4-9H2,1-3H3
InChIKey
LXXMLVSDFZLIEC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Asperglaucin B
CAS: 2701570-80-9
CID: 162679350
Formula: C19H26O3
MW: 302.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight302.4
XLogP35.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Exact Mass302.18819469
Monoisotopic Mass302.18819469
Topological Polar Surface Area46.5 Ų
Heavy Atom Count22
Formal Charge0
Complexity388
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

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