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Mangostin

CAT: 0013-GTR19161234-07Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19161234-07Size:100 mg
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Description
Mangostin is a natural xanthonoid, a type of organic compound isolated from various parts of the mangosteen tree.
CAS Number
6147-11-1
Product Name Alternative
Alpha-Mangostin | NSC 139154 | NSC 27593 | NSC 30552 | NSC139154
Purity
>98% (HPLC)
Solubility
DMSO: 10 mM
Smiles
O=C1C2=C (OC3=C1C (O) =C (C/C=C (C) \C) C (O) =C3) C=C (O) C (OC) =C2C/C=C (C) \C
Molecular Formula
C24H26O6
Molecular Weight
410.46
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
3,6,8-Trihydroxy-2-methoxy-1,7-bis (3-methylbut-2-enyl) xanthen-9-one

Chemical Information

Mangostin

Alpha-mangostin is a member of the class of xanthones that is 9H-xanthene substituted by hydroxy group at positions 1, 3 and 6, a methoxy group at position 7, an oxo group at position 9 and prenyl groups at positions 2 and 8. Isolated from the stems of Cratoxylum cochinchinense, it exhibits antioxidant, antimicrobial and antitumour activities. It has a role as an antioxidant, an antimicrobial agent, an antineoplastic agent and a plant metabolite. It is a member of phenols, an aromatic ether and a member of xanthones.

CAS Number6147-11-1
PubChem CID5281650
IUPAC Name1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methylbut-2-enyl)xanthen-9-one
Molecular FormulaC24H26O6
Molecular Weight410.5
XLogP6.3
Topological Polar Surface Area96.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity677
SMILES
CC(=CCC1=C(C2=C(C=C1O)OC3=C(C2=O)C(=C(C(=C3)O)OC)CC=C(C)C)O)C
InChI
InChI=1S/C24H26O6/c1-12(2)6-8-14-16(25)10-19-21(22(14)27)23(28)20-15(9-7-13(3)4)24(29-5)17(26)11-18(20)30-19/h6-7,10-11,25-27H,8-9H2,1-5H3
InChIKey
GNRIZKKCNOBBMO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mangostin
CAS: 6147-11-1
CID: 5281650
Formula: C24H26O6
MW: 410.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight410.5
XLogP36.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass410.17293854
Monoisotopic Mass410.17293854
Topological Polar Surface Area96.2 Ų
Heavy Atom Count30
Formal Charge0
Complexity677
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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