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Taxiresinol

CAT: 0931-TMA0627-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TMA0627-01Size:5 mg
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CAS Number
40951-69-7
Target
TNF
Related Pathways
Apoptosis
Bioactivity
Taxiresinol shows anticancer, antinociceptive, and antiallergic activities, it shows inhibitory activity on induced histamine release from the human basophilic cell line, KU812. Taxiresinol can protect the hepatocytes from apoptosis via an inhibition of TNF- alpha production by activated macrophages and a direct inhibition of apoptosis induced by TNF- alpha in D-GalN/LPS-treated mice.
Smiles
COc1cc(C[C@H]2CO[C@@H]([C@H]2CO)c2ccc(O)c(O)c2)ccc1O
Molecular Formula
C19H22O6
Molecular Weight
346.37
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Taxiresinol

Taxiresinol is a lignan that consists of tetrahydrofuran substituted by a 3,4-dihydroxyphenyl group at position 2, a hydroxymethyl group at position 3 and a 4-hydroxy-3-methoxybenzyl group at position 4. It has been isolated from Taxus yunnanensis. It has a role as a plant metabolite. It is a member of guaiacols, a lignan, a polyphenol, a member of oxolanes and a tetrol.

CAS Number40951-69-7
PubChem CID10088963
IUPAC Name4-[(2S,3R,4R)-4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(hydroxymethyl)oxolan-2-yl]benzene-1,2-diol
Molecular FormulaC19H22O6
Molecular Weight346.4
XLogP2.1
Topological Polar Surface Area99.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count25
Formal Charge0
Complexity419
SMILES
COC1=C(C=CC(=C1)C[C@H]2CO[C@@H]([C@H]2CO)C3=CC(=C(C=C3)O)O)O
InChI
InChI=1S/C19H22O6/c1-24-18-7-11(2-4-16(18)22)6-13-10-25-19(14(13)9-20)12-3-5-15(21)17(23)8-12/h2-5,7-8,13-14,19-23H,6,9-10H2,1H3/t13-,14-,19+/m0/s1
InChIKey
SNZZAHRDXCGWEM-CKFHNAJUSA-N
Chemical Structure
2D Structure
2D structure of Taxiresinol
CAS: 40951-69-7
CID: 10088963
Formula: C19H22O6
MW: 346.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight346.4
XLogP32.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass346.14163842
Monoisotopic Mass346.14163842
Topological Polar Surface Area99.4 Ų
Heavy Atom Count25
Formal Charge0
Complexity419
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
582829Taxiresinol

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