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Banksialactone A

CAT: 0804-HY-N8552Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-N8552Size:1 Each
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Description
Banksialactone A is the metabolite of an Australian fungus, Aspergillus banksianus[1].
CAS Number
1135775-06-2
UNSPSC
12352005
Target
Endogenous Metabolite
Type
Natural Products
Related Pathways
Metabolic Enzyme/Protease
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/banksialactone-a.html
Solubility
10 mM in DMSO
Smiles
O=C1C2=C(O)C=C(OC)C(C)=C2C(C)C(CO)(O)O1
Molecular Formula
C13H16O6
Molecular Weight
268.26
References & Citations
[1]Chaudhary NK, et al. Banksialactones and Banksiamarins: Isochromanones and Isocoumarins from an Australian Fungus, Aspergillus banksianus. J Nat Prod. 2018;81 (7) :1517-1526.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported
Isoform
Microbial Metabolite

Chemical Information

Banksialactone A

Banksialactone A is a 2-benzopyran.

CAS Number1135775-06-2
PubChem CID24177522
IUPAC Name3,8-dihydroxy-3-(hydroxymethyl)-6-methoxy-4,5-dimethyl-4H-isochromen-1-one
Molecular FormulaC13H16O6
Molecular Weight268.26
XLogP1.3
Topological Polar Surface Area96.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count19
Formal Charge0
Complexity359
SMILES
CC1C2=C(C(=CC(=C2C)OC)O)C(=O)OC1(CO)O
InChI
InChI=1S/C13H16O6/c1-6-9(18-3)4-8(15)11-10(6)7(2)13(17,5-14)19-12(11)16/h4,7,14-15,17H,5H2,1-3H3
InChIKey
FQHKKOGWSXLRAC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Banksialactone A
CAS: 1135775-06-2
CID: 24177522
Formula: C13H16O6
MW: 268.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight268.26
XLogP31.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass268.09468823
Monoisotopic Mass268.09468823
Topological Polar Surface Area96.2 Ų
Heavy Atom Count19
Formal Charge0
Complexity359
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
B084-5MGBanksialactone A

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