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Dehydrodiisoeugenol

CAT: 0931-T6S1543-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T6S1543-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2680-81-1
Target
NF-κB, COX, Antibacterial
Related Pathways
NF-κB, Immunology/Inflammation, Microbiology/Virology, Neuroscience
Purity
0.9997
Bioactivity
1. Dehydrodiisoeugenol has anti-inflammatory activity. (1) . Dehydrodiisoeugenol inhibited the expression of the COX-2 in RAW264.7 murine macrophages stimulated with LPS. (2) . Dehydrodiisoeugenol inhibited LPS-stimulated phosphorylation-dependent proteolysis of inhibitor κB-α and transcriptional activity of NF-κB in the cells.
Smiles
COc1cc(\C=C\C)cc2C(C)C(Oc12)c1ccc(O)c(OC)c1
Molecular Formula
C20H22O4
Molecular Weight
326.39
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Dehydrodiisoeugenol

Dehydrodiisoeugenol has been reported in Myristica fragrans with data available.

CAS Number2680-81-1
PubChem CID5379033
IUPAC Name2-methoxy-4-[7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran-2-yl]phenol
Molecular FormulaC20H22O4
Molecular Weight326.4
XLogP4.4
Topological Polar Surface Area47.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity437
SMILES
C/C=C/C1=CC2=C(C(=C1)OC)OC(C2C)C3=CC(=C(C=C3)O)OC
InChI
InChI=1S/C20H22O4/c1-5-6-13-9-15-12(2)19(24-20(15)18(10-13)23-4)14-7-8-16(21)17(11-14)22-3/h5-12,19,21H,1-4H3/b6-5+
InChIKey
ITDOFWOJEDZPCF-AATRIKPKSA-N
Chemical Structure
2D Structure
2D structure of Dehydrodiisoeugenol
CAS: 2680-81-1
CID: 5379033
Formula: C20H22O4
MW: 326.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight326.4
XLogP34.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass326.15180918
Monoisotopic Mass326.15180918
Topological Polar Surface Area47.9 Ų
Heavy Atom Count24
Formal Charge0
Complexity437
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TB0396-0020Dehydrodiisoeugenol
371349Dehydrodiisoeugenol discontinued
A14493-100Dehydrodiisoeugenol 100mg
A14493-10Dehydrodiisoeugenol 10mg
HY-N0589SDehydrodiisoeugenol-d4
A14493-50Dehydrodiisoeugenol 50mg
A14493-1Dehydrodiisoeugenol 1mg
HY-N0589R-01Dehydrodiisoeugenol (Standard)
A14493-25Dehydrodiisoeugenol 25mg

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