| Phytochemical Name : alpha-Mangostin |
| PCNDIDA0097 |
| Pubchem CID : 5281650 |
| Molecular formula: C24H26O6 |
| Canonical SMILES : CC(=CCC1=C(C2=C(C=C1O)OC3=C(C2=O)C(=C(C(=C3)O)OC)CC=C(C)C)O)C |
Synonymes : 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|Mangostine|NSC-30552|Alpha-Mangostin, 95%|a-Mangostin|U6RIV93RU1|7-o-methyl-4-desprenylcostatin|CHEBI:67547|NSC27593|NSC30552|NSC 27593|NSC 30552|NSC-27593|UNII-U6RIV93RU1|NSC 139154|NSC-139154|1,3,6-trihydroxy-7-methoxy-2,8-diprenylxanthone|1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methylbut-2-enyl)xanthen-9-one|1,3,6-Trihydroxy-7-methoxy-2,8-bis(3-methyl-2-butenyl)-9H-xanthen-9-one|CHEMBL323197|HSDB 8103|1,3,6-Trihydroxy-7-methoxy-2,8-bis(3,3-dimethylallyl)xanthone|DTXSID00210420|TNP00140|9H-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|Xanthen-9-one, 1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methyl-2-butenyl)-|alpha-mangosten|3,6,8-trihydroxy-2-methoxy-1,7-bis(3-methylbut-2-enyl)xanthen-9-one|1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methylbut-2-enyl)-9H-xanthen-9-one|1,3,6-TRIHYDROXY-7-METHOXY-2,8-BIS-(3-METHYL-2-BUTEN-1-YL)-9H-XANTHEN-9-ONE|7-O-methyl-gamma-mangostin|delta-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|MFCD00135200|Spectrum_001726|SpecPlus_000574|MANGOSTIN [MI]|MANGOSTIN [INCI]|Spectrum2_001620|Spectrum3_001297|Spectrum4_001911|Spectrum5_000622|D02ZPE|D06PRC|BSPBio_002933|KBioGR_002529|KBioSS_002206|BIDD:ER0576|DivK1c_006670|SCHEMBL354735|SPECTRUM1504015|SPECTRUM1505128|7-o-methyl-.gamma.-mangostin|SPBio_001659|KBio1_001614|KBio2_002206|KBio2_004774|KBio2_007342|KBio3_002153|DTXCID00132911|BCP13253|HY-N0328|alpha-Mangostin, >=98% (HPLC)|1,7-bis(3-methylbut-2-enyl)-3,6,8-trihydroxy-2-methoxyxanthen-9-one|BDBM50214969|CCG-36465|NSC139154|s3804|9H-Xanthen-9-one,1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methyl-2-butenyl)-|AKOS015912806|AC-6089|CS-6435|DS-3359|SDCCGMLS-0066796.P001|1,3,6-Trihydroxy-7-methoxy-2,8-bis(3-methyl-2-buten-1-yl)-9H-xanthen-9-one|NCGC00017251-01|NCGC00017251-02|NCGC00017251-03|NCGC00017251-04|NCGC00017251-05|NCGC00095730-01|NCGC00095730-02|NCGC00095730-03|NCGC00178385-01|FT-0635997|M2793|A833244|Q909638|SR-05000002649|Q-100010|SR-05000002649-1|BRD-K11991978-001-02-6|BRD-K11991978-001-03-4|1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methylbut-2-enyl)-9-xanthenone|1,3,6-Trihydroxy-7-methoxy-2,8-bis-(3-methyl-but-2-enyl)-xanthen-9-one|2-methoxy-1,7-bis(3-methylbut-2-enyl)-3,6,8-tris(oxidanyl)xanthen-9-one|(c) paragraph sign-mangostin pound>>alpha-Mangostin; NSC 139154; NSC 27593; NSC 30552|9H-Xanthen-9-one, 1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methyl-2-buten-1-yl)- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 4.140 |
| Log Po/w (XLOGP3) : 6.270 |
| Log Po/w (WLOGP) : 5.090 |
| Log Po/w (MLOGP) : 2.190 |
| Log Po/w (SILICOS-IT) : 5.520 |
| Consensus Log Po/w : 4.640 |