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Methyllucidone

CAT: 0931-T19885-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T19885-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
19956-54-8
Target
Reactive Oxygen Species, Nrf2, PI3K
Related Pathways
Immunology/Inflammation, NF-κB, PI3K/Akt/mTOR signaling, Metabolism
Bioactivity
Methyllucidone is an inhibitor of STAT3 that acts by regulating the expression of the protein tyrosine phosphatase MEG2.
Smiles
CO\C(\C=C\c1ccccc1)=C1\C(=O)C=C(OC)C1=O
Molecular Formula
C16H14O4
Molecular Weight
270.28
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Methyllucidone

Methyllucidone is a member of chalcones. It has a role as an antioxidant.

CAS Number19956-54-8
PubChem CID21680425
IUPAC Name(2Z)-4-methoxy-2-[(E)-1-methoxy-3-phenylprop-2-enylidene]cyclopent-4-ene-1,3-dione
Molecular FormulaC16H14O4
Molecular Weight270.28
XLogP2.7
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count20
Formal Charge0
Complexity491
SMILES
COC1=CC(=O)/C(=C(\C=C\C2=CC=CC=C2)/OC)/C1=O
InChI
InChI=1S/C16H14O4/c1-19-13(9-8-11-6-4-3-5-7-11)15-12(17)10-14(20-2)16(15)18/h3-10H,1-2H3/b9-8+,15-13-
InChIKey
FITVJPYUOAZKPN-PBMBQWDMSA-N
Chemical Structure
2D Structure
2D structure of Methyllucidone
CAS: 19956-54-8
CID: 21680425
Formula: C16H14O4
MW: 270.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight270.28
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass270.08920892
Monoisotopic Mass270.08920892
Topological Polar Surface Area52.6 Ų
Heavy Atom Count20
Formal Charge0
Complexity491
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-N3260Methyllucidone

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