Mangostanol
PubChem CID: 10048103
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| Compound Synonyms | MANGOSTANOL, 184587-72-2, (+)-Mangostanol, 3,5,9-trihydroxy-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-3,4-dihydropyrano[3,2-b]xanthen-6-one, CHEMBL1224250, 2H,6H-Pyrano[3,2-b]xanthen-6-one, 3,4-dihydro-3,5,9-trihydroxy-8-methoxy-2,2-dimethyl-7-(3-methyl-2-butenyl)-, (+)- (9CI), (+)-3,4-Dihydro-3,5,9-trihydroxy-8-methoxy-2,2-dimethyl-7-(3-methyl-2-buten-1-yl)-2H,6H-pyrano[3,2-b]xanthen-6-one, (+)-Mangostanol, 3,5,9-trihydroxy-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-en-1-yl)-2,3,4,6-tetrahydro-1,11-dioxatetracen-6-one, 3,5,9-trihydroxy-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-3,4-dihydropyrano(3,2-b)xanthen-6-one, DTXSID301318291, HY-N3324, BDBM50325676, AKOS032961774, DA-75301, FS-10507, CS-0023896, 3,5,9-TRIHYDROXY-8-METHOXY-2,2-DIMETHYL-7-(3-METHYLBUT-2-EN-1-YL)-3,4-DIHYDRO-1,11-DIOXATETRACEN-6-ONE, 3,5,9-Trihydroxy-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H,6H-pyrano[3,2-b]xanthen-6-one |
|---|---|
| Topological Polar Surface Area | 105.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 31.0 |
| Description | Constituent of Garcinia mangostana (mangosteen). Mangostanol is found in fruits and purple mangosteen. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 715.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P10481 |
| Iupac Name | 3,5,9-trihydroxy-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-3,4-dihydropyrano[3,2-b]xanthen-6-one |
| Prediction Hob | 1.0 |
| Class | Benzopyrans |
| Xlogp | 4.7 |
| Superclass | Organoheterocyclic compounds |
| Subclass | 1-benzopyrans |
| Molecular Formula | C24H26O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KCMPFWGUVNEDHW-UHFFFAOYSA-N |
| Fcsp3 | 0.375 |
| Logs | -3.302 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.165 |
| Synonyms | (+)-Mangostanol, Mangostanol, 3-Isomangostin |
| Substituent Name | 8-prenylated xanthone, Pyranoxanthone, Pyranochromene, 2,2-dimethyl-1-benzopyran, Chromone, Methoxyphenol, Anisole, Pyranone, Alkyl aryl ether, Benzenoid, Pyran, Heteroaromatic compound, Vinylogous acid, Secondary alcohol, Polyol, Oxacycle, Ether, Hydrocarbon derivative, Organooxygen compound, Alcohol, Aromatic heteropolycyclic compound |
| Compound Name | Mangostanol |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 426.168 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 426.168 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 426.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Esol | -5.927776548387097 |
| 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 |
| Smiles | CC(=CCC1=C(C(=CC2=C1C(=O)C3=C(C4=C(C=C3O2)OC(C(C4)O)(C)C)O)O)OC)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | 8-prenylated xanthones |
- 1. Outgoing r'ship
FOUND_INto/from Garcinia Atroviridis (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Garcinia Cambogia (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Garcinia Cantleyana (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Garcinia Celebica (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Garcinia Conrauana (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Garcinia Cowa (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Garcinia Dulcis (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Garcinia Echinocarpa (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Garcinia Esculenta (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Garcinia Gaudichaudii (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Garcinia Griffithii (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Garcinia Hanburyi (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Garcinia Hombroniana (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Garcinia Huillensis (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Garcinia Indica (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Garcinia Intermedia (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Garcinia Kola (Plant) Rel Props:Reference: - 18. Outgoing r'ship
FOUND_INto/from Garcinia Kydia (Plant) Rel Props:Reference: - 19. Outgoing r'ship
FOUND_INto/from Garcinia Lancaeafolia (Plant) Rel Props:Reference: - 20. Outgoing r'ship
FOUND_INto/from Garcinia Lancilimba (Plant) Rel Props:Reference: - 21. Outgoing r'ship
FOUND_INto/from Garcinia Lateriflora (Plant) Rel Props:Reference: - 22. Outgoing r'ship
FOUND_INto/from Garcinia Latissima (Plant) Rel Props:Reference: - 23. Outgoing r'ship
FOUND_INto/from Garcinia Linii (Plant) Rel Props:Reference: - 24. Outgoing r'ship
FOUND_INto/from Garcinia Livingstonei (Plant) Rel Props:Reference: - 25. Outgoing r'ship
FOUND_INto/from Garcinia Lucida (Plant) Rel Props:Reference: - 26. Outgoing r'ship
FOUND_INto/from Garcinia Macrophylla (Plant) Rel Props:Reference: - 27. Outgoing r'ship
FOUND_INto/from Garcinia Mangostana (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all - 28. Outgoing r'ship
FOUND_INto/from Garcinia Morella (Plant) Rel Props:Reference: - 29. Outgoing r'ship
FOUND_INto/from Garcinia Multiflora (Plant) Rel Props:Reference: - 30. Outgoing r'ship
FOUND_INto/from Garcinia Nervosa (Plant) Rel Props:Reference: - 31. Outgoing r'ship
FOUND_INto/from Garcinia Nigrolineata (Plant) Rel Props:Reference: - 32. Outgoing r'ship
FOUND_INto/from Garcinia Oblongifolia (Plant) Rel Props:Reference: - 33. Outgoing r'ship
FOUND_INto/from Garcinia Oligantha (Plant) Rel Props:Reference: - 34. Outgoing r'ship
FOUND_INto/from Garcinia Ovalifolia (Plant) Rel Props:Reference: - 35. Outgoing r'ship
FOUND_INto/from Garcinia Parvifolia (Plant) Rel Props:Reference: - 36. Outgoing r'ship
FOUND_INto/from Garcinia Paucinervis (Plant) Rel Props:Reference: - 37. Outgoing r'ship
FOUND_INto/from Garcinia Pedunculata (Plant) Rel Props:Reference: - 38. Outgoing r'ship
FOUND_INto/from Garcinia Polyantha (Plant) Rel Props:Reference: - 39. Outgoing r'ship
FOUND_INto/from Garcinia Pseudoguttifera (Plant) Rel Props:Reference: - 40. Outgoing r'ship
FOUND_INto/from Garcinia Purpurea (Plant) Rel Props:Reference: - 41. Outgoing r'ship
FOUND_INto/from Garcinia Pyrifera (Plant) Rel Props:Reference: - 42. Outgoing r'ship
FOUND_INto/from Garcinia Quaesita (Plant) Rel Props:Reference: - 43. Outgoing r'ship
FOUND_INto/from Garcinia Scortechinii (Plant) Rel Props:Reference: - 44. Outgoing r'ship
FOUND_INto/from Garcinia Speciosa (Plant) Rel Props:Reference: - 45. Outgoing r'ship
FOUND_INto/from Garcinia Spicata (Plant) Rel Props:Reference: - 46. Outgoing r'ship
FOUND_INto/from Garcinia Subelliptica (Plant) Rel Props:Reference: - 47. Outgoing r'ship
FOUND_INto/from Garcinia Talbotii (Plant) Rel Props:Reference: - 48. Outgoing r'ship
FOUND_INto/from Garcinia Tinctoria (Plant) Rel Props:Reference: - 49. Outgoing r'ship
FOUND_INto/from Garcinia Travancorica (Plant) Rel Props:Reference: - 50. Outgoing r'ship
FOUND_INto/from Garcinia Virgata (Plant) Rel Props:Reference: - 51. Outgoing r'ship
FOUND_INto/from Garcinia Wightii (Plant) Rel Props:Reference: - 52. Outgoing r'ship
FOUND_INto/from Garcinia Xanthochymus (Plant) Rel Props:Reference: - 53. Outgoing r'ship
FOUND_INto/from Garcinia Xipshuanbannaensis (Plant) Rel Props:Reference: