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5-Methoxyisolariciresinol

CAT: 0013-GTR19182372Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19182372Size:5 mg
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Description
(+) -5-Methoxyisolariciresinol is a bioactive lignan exhibiting potent antioxidant activity, with IC50 values typically between 42 and 49 μg/mL. It is utilized in research on oxidative stress, with studies exploring its potential in vitro and in phytochemical investigations.
CAS Number
136082-41-2
Smiles
COc1cc (ccc1O) [C@@H]1[C@@H] (CO) [C@H] (CO) Cc2cc (OC) c (O) c (OC) c12
Molecular Formula
C21H26O7
Molecular Weight
390.43
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(+)-8-Methoxyisolariciresinol

(+)-8-Methoxyisolariciresinol has been reported in Salacia chinensis and Annona squamosa with data available.

CAS Number136082-41-2
PubChem CID10249800
IUPAC Name(6R,7R,8S)-8-(4-hydroxy-3-methoxyphenyl)-6,7-bis(hydroxymethyl)-1,3-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-ol
Molecular FormulaC21H26O7
Molecular Weight390.4
XLogP2
Topological Polar Surface Area109
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count28
Formal Charge0
Complexity489
SMILES
COC1=C(C(=C2[C@@H]([C@H]([C@@H](CC2=C1)CO)CO)C3=CC(=C(C=C3)O)OC)OC)O
InChI
InChI=1S/C21H26O7/c1-26-16-7-11(4-5-15(16)24)18-14(10-23)13(9-22)6-12-8-17(27-2)20(25)21(28-3)19(12)18/h4-5,7-8,13-14,18,22-25H,6,9-10H2,1-3H3/t13-,14-,18+/m0/s1
InChIKey
ZPRAJLPWRSLALC-SUNYJGFJSA-N
Chemical Structure
2D Structure
2D structure of (+)-8-Methoxyisolariciresinol
CAS: 136082-41-2
CID: 10249800
Formula: C21H26O7
MW: 390.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight390.4
XLogP32
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass390.16785316
Monoisotopic Mass390.16785316
Topological Polar Surface Area109 Ų
Heavy Atom Count28
Formal Charge0
Complexity489
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

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