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Dykellic acid

CAT: 0931-TN10611-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TN10611-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1097679-78-1
Target
Ras
Related Pathways
GPCR/G Protein, MAPK
Bioactivity
Dykellic acid is a RhoA inhibitor. It can suppress the migration and motility of B16 cells and inhibit the tubular formation of HUVECs. Dykellic acid shows potential for use in cancer research.
Smiles
C(CC(O)=O)C=1C(=O)OC(/C=C/C=C/C)C(=C)C1
Molecular Formula
C14H16O4
Molecular Weight
248.274
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Dykellic Acid

Dykellic acid has been reported in Westerdykella multispora with data available.

CAS Number1097679-78-1
PubChem CID6397984
IUPAC Name3-[5-methylidene-2-oxo-6-[(1E,3E)-penta-1,3-dienyl]pyran-3-yl]propanoic acid
Molecular FormulaC14H16O4
Molecular Weight248.27
XLogP2.1
Topological Polar Surface Area63.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count18
Formal Charge0
Complexity441
SMILES
C/C=C/C=C/C1C(=C)C=C(C(=O)O1)CCC(=O)O
InChI
InChI=1S/C14H16O4/c1-3-4-5-6-12-10(2)9-11(14(17)18-12)7-8-13(15)16/h3-6,9,12H,2,7-8H2,1H3,(H,15,16)/b4-3+,6-5+
InChIKey
XMBYWWHLSMXSPA-VNKDHWASSA-N
Chemical Structure
2D Structure
2D structure of Dykellic Acid
CAS: 1097679-78-1
CID: 6397984
Formula: C14H16O4
MW: 248.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight248.27
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass248.10485899
Monoisotopic Mass248.10485899
Topological Polar Surface Area63.6 Ų
Heavy Atom Count18
Formal Charge0
Complexity441
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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