Compound: alpha-Mangostin
SMILES: O=c1c2c(O)c(c(O)cc2oc3c1c(c(OC)c(c3)O)CC=C(C)C)CC=C(C)C
InChIKey: GNRIZKKCNOBBMO-UHFFFAOYSA-N
Synonyms: alpha-Mangostin, Mangostin, 6147-11-1, 1,3,6-Trihydroxy-7-methoxy-2,8-bis(3-methylbut-2-en-1-yl)-9H-xanthen-9-one, 1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methylbut-2-enyl)xanthen-9-one, U6RIV93RU1, NSC-30552, 1,3,6-Trihydroxy-7-methoxy-2,8-bis(3-methyl-2-butenyl)-9H-xanthen-9-one, NSC 27593, NSC 30552, NSC-27593, NSC 139154, NSC-139154, 7-o-methyl-4-desprenylcostatin, CHEBI:67547, DTXSID00210420, 9H-Xanthen-9-one, 1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methyl-2-butenyl)-, Xanthen-9-one, 1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methyl-2-butenyl)-, 1,3,6-Trihydroxy-7-methoxy-2,8-di(3-methyl-2-butenyl)xanthone, alfa-mangostin, alpha-mangosten, RefChem:42098, 7-O-methyl-gamma-mangostin, DTXCID00132911, 448-420-7, Mangostine, Alpha-Mangostin, 95%, a-Mangostin, NSC27593, NSC30552, MFCD00135200, CHEMBL323197, 1,3,6-Trihydroxy-7-methoxy-2,8-bis(3,3-dimethylallyl)xanthone, 1,3,6-trihydroxy-7-methoxy-2,8-diprenylxanthone, TNP00140, 1,3,6-Trihydroxy-7-methoxy-2,8-bis(3-methyl-2-buten-1-yl)-9H-xanthen-9-one, 9H-Xanthen-9-one,1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methyl-2-butenyl)-, 1,7-bis(3-methylbut-2-enyl)-3,6,8-trihydroxy-2-methoxyxanthen-9-one, 1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methylbut-2-enyl)-9H-xanthen-9-one, alpha-mangostin?, 9H-Xanthen-9-one,3,6-trihydroxy-7-methoxy-2,8-bis(3-methyl-2-butenyl)-, Xanthen-9-one,3,6-trihydroxy-7-methoxy-2,8-bis(3-methyl-2-butenyl)-, .Alpha.-mangosten, .Alpha.-mangostin, Spectrum_001726, SpecPlus_000574, MANGOSTIN [MI], Spectrum2_001620, Spectrum3_001297, Spectrum4_001911, Spectrum5_000622, UNII-U6RIV93RU1, alpha-Mangostin (Standard), BSPBio_002933, KBioGR_002529, KBioSS_002206, BIDD:ER0576, DivK1c_006670, SCHEMBL354735, SPECTRUM1504015, SPECTRUM1505128, 7-o-methyl-.gamma.-mangostin, SPBio_001659, orb1307648, orb3140600, SCHEMBL29433195, SCHEMBL29466055, GTPL13469, HSDB 8103, HY-N0328R, KBio1_001614, KBio2_002206, KBio2_004774, KBio2_007342, KBio3_002153, HMS6018B19, HY-N0328, KXB04773, alpha-Mangostin, >=98% (HPLC), 3,6,8-trihydroxy-2-methoxy-1,7-bis(3-methylbut-2-enyl)xanthen-9-one, BDBM50214969, CCG-36465, MSK181798, NSC139154, s3804, AKOS015912806, AC-6089, CS-6435, DS-3359, EBC-467051, FM25010, SDCCGMLS-0066796.P001, NCGC00017251-01, NCGC00017251-02, NCGC00017251-03, NCGC00017251-04, NCGC00017251-05, NCGC00017251-06, NCGC00095730-01, NCGC00095730-02, NCGC00095730-03, NCGC00178385-01, ST057241, DB-053898, M2793, AK-693/21096021, F809771, Q909638, SR-05000002649, SR-05000002649-1, BRD-K11991978-001-02-6, BRD-K11991978-001-03-4, 1,3,6-Trihydroxy-7-methoxy-2,8-bis-(3-methyl-but-2-enyl)-xanthen-9-one, 1,3,6-TRIHYDROXY-7-METHOXY-2,8-BIS-(3-METHYL-2-BUTEN-1-YL)-9H-XANTHEN-9-ONE, 9H-Xanthen-9-one, 1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methyl-2-buten-1-yl)-, alpha-Mangostin1,3,6-Trihydroxy-7-methoxy-2,8-bis(3-methylbut-2-en-1-yl)-9H-xanthen-9-one; Mangostine
Theoretical properties:
molecular_formula: C24H26O6
molecular_weight: 410.5 g/mol
exact_mass: 410.17293854 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 3
hydrogen_bond_acceptor_count: 6
rotatable_bond_count: 5
heavy_atom_count: 30
topological_polar_surface_area: 96.2 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Faint yellow to yellow powder
color: Faint yellow to yellow powder
melting_point: 180 - 181 °C
solubility: Soluble in methanol
Descriptions:
pubchem: 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.
chebi: A member of the class of xanthones that is 9<em>H</em>-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 <em>Cratoxylum cochinchinense</em>, it exhibits antioxidant, antimicrobial and antitumour activities.
chembl: MANGOSTIN is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Mangostin is a natural xanthonoid, a type of organic compound isolated from various parts of the mangosteen tree (Garcinia mangostana).  It is a yellow crystalline solid with a xanthone core structure.