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Murrayone

CAT: 0931-TN1046-04Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TN1046-04Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
19668-69-0
Target
Others
Related Pathways
Others
Purity
0.9879
Bioactivity
Murrayone, a coumarin-containing compound derived from M. paniculata, stands out as the most bioactive substance within this species, primarily due to its unique pharmacological attributes that notably suppress cancer metastasis, positioning it as an effective chemopreventive agent.
Smiles
COc1ccc2ccc(=O)oc2c1CC(=O)C(C)=C
Molecular Formula
C15H14O4
Molecular Weight
258.27
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Murrayone

Murrayone has been reported in Murraya paniculata and Murraya exotica with data available.

CAS Number19668-69-0
PubChem CID5319964
IUPAC Name7-methoxy-8-(3-methyl-2-oxobut-3-enyl)chromen-2-one
Molecular FormulaC15H14O4
Molecular Weight258.27
XLogP2.5
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count19
Formal Charge0
Complexity424
SMILES
CC(=C)C(=O)CC1=C(C=CC2=C1OC(=O)C=C2)OC
InChI
InChI=1S/C15H14O4/c1-9(2)12(16)8-11-13(18-3)6-4-10-5-7-14(17)19-15(10)11/h4-7H,1,8H2,2-3H3
InChIKey
IISMOXLSZASLDD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Murrayone
CAS: 19668-69-0
CID: 5319964
Formula: C15H14O4
MW: 258.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight258.27
XLogP32.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass258.08920892
Monoisotopic Mass258.08920892
Topological Polar Surface Area52.6 Ų
Heavy Atom Count19
Formal Charge0
Complexity424
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

Alternative Products

CatalogName
MBS5759796Murrayone

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