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Macelignan

CAT: 0013-GTR19170719-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19170719-01Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Macelignan (Anwuligan) is a natural lignan derived from nutmeg, exhibiting antimicrobial and anticariogenic properties primarily against Streptococcus mutans. Research applications include in vitro studies of oral biofilm formation and investigations into its potential for dental caries prevention.
CAS Number
107534-93-0
Product Name Alternative
Cyclooxygenase, COX, (+) -Anwulignan, anti-diabetes, anti-cancer, anti-inflammatory, Anwuligan, Anwulignan, hacat, Inhibitor, Macelignan, neuroprotective, lignan, inhibit
Field of Research
Immunology & Inflammation, Neuroscience
Purity
98.01% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:2.00 mg/mL (6.09 mM) ; Chloroform, Dichloromethane, Ethyl Acetate:Soluble; DMSO:135.00 mg/mL (411.08 mM)
Smiles
COc1cc (C[C@H] (C) [C@H] (C) Cc2ccc3OCOc3c2) ccc1O
Molecular Formula
C20H24O4
Molecular Weight
328.40
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Macelignan

4-[(2S,3R)-4-(1,3-benzodioxol-5-yl)-2,3-dimethylbutyl]-2-methoxyphenol is a lignan.

CAS Number107534-93-0
PubChem CID10404245
IUPAC Name4-[(2S,3R)-4-(1,3-benzodioxol-5-yl)-2,3-dimethylbutyl]-2-methoxyphenol
Molecular FormulaC20H24O4
Molecular Weight328.4
XLogP5.2
Topological Polar Surface Area47.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count24
Formal Charge0
Complexity388
SMILES
C[C@H](CC1=CC2=C(C=C1)OCO2)[C@@H](C)CC3=CC(=C(C=C3)O)OC
InChI
InChI=1S/C20H24O4/c1-13(8-15-4-6-17(21)19(10-15)22-3)14(2)9-16-5-7-18-20(11-16)24-12-23-18/h4-7,10-11,13-14,21H,8-9,12H2,1-3H3/t13-,14+/m0/s1
InChIKey
QDDILOVMGWUNGD-UONOGXRCSA-N
Chemical Structure
2D Structure
2D structure of Macelignan
CAS: 107534-93-0
CID: 10404245
Formula: C20H24O4
MW: 328.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight328.4
XLogP35.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass328.16745924
Monoisotopic Mass328.16745924
Topological Polar Surface Area47.9 Ų
Heavy Atom Count24
Formal Charge0
Complexity388
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-N0064-01Macelignan
371667Macelignan, (+) - discontinued
HY-N0064RMacelignan (Standard)

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