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Ayapin

CAT: 0931-TN11052-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-TN11052-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
494-56-4
Target
Antibacterial
Related Pathways
Microbiology/Virology
Bioactivity
Ayapin, found in sunflowers, is a primary plant phytoalexin. It inhibits the growth of S. scerorotiorum, with an IC50 of 0.16 mM indicating 50% inhibition. Ayapin is utilized in studies on controlling sclerotinia stem rot.
Smiles
O=C1OC=2C=C3OCOC3=CC2C=C1
Molecular Formula
C10H6O4
Molecular Weight
190.15
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Ayapin

Ayapin is a member of coumarins.

CAS Number494-56-4
PubChem CID3083597
IUPAC Name[1,3]dioxolo[4,5-g]chromen-6-one
Molecular FormulaC10H6O4
Molecular Weight190.15
XLogP1.7
Topological Polar Surface Area44.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count14
Formal Charge0
Complexity286
SMILES
C1OC2=C(O1)C=C3C(=C2)C=CC(=O)O3
InChI
InChI=1S/C10H6O4/c11-10-2-1-6-3-8-9(13-5-12-8)4-7(6)14-10/h1-4H,5H2
InChIKey
MLQTZXHZYMNZJE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ayapin
CAS: 494-56-4
CID: 3083597
Formula: C10H6O4
MW: 190.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight190.15
XLogP31.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass190.02660867
Monoisotopic Mass190.02660867
Topological Polar Surface Area44.8 Ų
Heavy Atom Count14
Formal Charge0
Complexity286
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

Related Products

CatalogName
TN1416-01Ayanin

Alternative Products

CatalogName
GTR19255292-01Ayapin

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