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Mangostanol

CAT: 1410-M39088-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:1410-M39088-02Size:2 mg
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Description
Mangostanol is an acetylcholinesterase (AChE) selective inhibitor.Mangostanol has anti-cancer activity, it shows significant activities against the CEM-SS cell line, with IC50 values of 9.6 microg/ml.
CAS Number
184587-72-2
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
426.46
Molecular Formula
C24H26O7
Notes
Research use only, not for human use.
Receptor
AChR

Chemical Information

Mangostanol

Mangostanol has been reported in Garcinia mangostana and Garcinia with data available.

CAS Number184587-72-2
PubChem CID10048103
IUPAC Name3,5,9-trihydroxy-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-3,4-dihydropyrano[3,2-b]xanthen-6-one
Molecular FormulaC24H26O7
Molecular Weight426.5
XLogP4.7
Topological Polar Surface Area105
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count31
Formal Charge0
Complexity715
SMILES
CC(=CCC1=C(C(=CC2=C1C(=O)C3=C(C4=C(C=C3O2)OC(C(C4)O)(C)C)O)O)OC)C
InChI
InChI=1S/C24H26O7/c1-11(2)6-7-12-19-16(9-14(25)23(12)29-5)30-17-10-15-13(21(27)20(17)22(19)28)8-18(26)24(3,4)31-15/h6,9-10,18,25-27H,7-8H2,1-5H3
InChIKey
KCMPFWGUVNEDHW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mangostanol
CAS: 184587-72-2
CID: 10048103
Formula: C24H26O7
MW: 426.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight426.5
XLogP34.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass426.16785316
Monoisotopic Mass426.16785316
Topological Polar Surface Area105 Ų
Heavy Atom Count31
Formal Charge0
Complexity715
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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