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12-Hydroxy-2,3-dihydroeuparin

CAT: 0804-HY-N8680-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N8680-01Size:1 mg
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Description
12-Hydroxy-2,3-dihydroeuparin (compound 7) is a natural product that can be isolated from the aerial parts of Ophryosporus axilliflorus. 12-Hydroxy-2,3-dihydroeuparin shows extremely anti-inflammatory activity[1].
CAS Number
68776-42-1
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/12-hydroxy-2-3-dihydroeuparin.html
Solubility
10 mM in DMSO
Smiles
CC(C1=C(O)C=C(O[C@H](C(CO)=C)C2)C2=C1)=O
Molecular Formula
C13H14O4
Molecular Weight
234.25
References & Citations
[1]Favier L, et al. Anti-inflammatory activity of acetophenones from Ophryosporus axilliflorus. Planta Med. 1998 Oct;64 (7) :657-9.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

12-Hydroxy-2,3-dihydroeuparin
CAS Number68776-42-1
PubChem CID10036992
IUPAC Name1-[(2S)-6-hydroxy-2-(3-hydroxyprop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethanone
Molecular FormulaC13H14O4
Molecular Weight234.25
XLogP1.9
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count17
Formal Charge0
Complexity325
SMILES
CC(=O)C1=C(C=C2C(=C1)C[C@H](O2)C(=C)CO)O
InChI
InChI=1S/C13H14O4/c1-7(6-14)12-4-9-3-10(8(2)15)11(16)5-13(9)17-12/h3,5,12,14,16H,1,4,6H2,2H3/t12-/m0/s1
InChIKey
KPJMESMRKLJVPB-LBPRGKRZSA-N
Chemical Structure
2D Structure
2D structure of 12-Hydroxy-2,3-dihydroeuparin
CAS: 68776-42-1
CID: 10036992
Formula: C13H14O4
MW: 234.25
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight234.25
XLogP31.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass234.08920892
Monoisotopic Mass234.08920892
Topological Polar Surface Area66.8 Ų
Heavy Atom Count17
Formal Charge0
Complexity325
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes