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Maceneolignan A

CAT: 0013-GTR19230075-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19230075-03Size:10 mg
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Description
Maceneolignan A is a natural compound isolated from Myristica fragrans that inhibits β-hexosaminidase release (IC50 = 48.4 μM) and suppresses TNF-α production (IC50 = 63.7 μM) in antigen-stimulated RBL-2H3 cells. This bioactivity makes it a useful research tool for studying mast cell degranulation and allergic inflammation mechanisms in vitro.
CAS Number
1967042-42-7
Field of Research
Cell Biology
Smiles
O (C) C1=C2C ([C@@H] (C) [C@@H] (O2) C3=CC (OC) =C (O) C (OC) =C3) =CC (/C=C/C) =C1
Molecular Formula
C21H24O5
Molecular Weight
356.41
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Maceneolignan A
CAS Number1967042-42-7
PubChem CID124396489
IUPAC Name2,6-dimethoxy-4-[(2R,3R)-7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran-2-yl]phenol
Molecular FormulaC21H24O5
Molecular Weight356.4
XLogP4.4
Topological Polar Surface Area57.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity467
SMILES
C/C=C/C1=CC2=C(C(=C1)OC)O[C@H]([C@@H]2C)C3=CC(=C(C(=C3)OC)O)OC
InChI
InChI=1S/C21H24O5/c1-6-7-13-8-15-12(2)20(26-21(15)18(9-13)25-5)14-10-16(23-3)19(22)17(11-14)24-4/h6-12,20,22H,1-5H3/b7-6+/t12-,20-/m1/s1
InChIKey
LYZVPGMCGPXCQO-FVFSBHJXSA-N
Chemical Structure
2D Structure
2D structure of Maceneolignan A
CAS: 1967042-42-7
CID: 124396489
Formula: C21H24O5
MW: 356.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight356.4
XLogP34.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass356.16237386
Monoisotopic Mass356.16237386
Topological Polar Surface Area57.2 Ų
Heavy Atom Count26
Formal Charge0
Complexity467
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5821636Maceneolignan A
T75499-01Maceneolignan H
MBS5791155Maceneolignan B

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