Mangostin
| Internal ID | 6593a548-487e-4c3d-8773-e93b0908f216 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones > 8-prenylated xanthones |
| IUPAC Name | 1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methylbut-2-enyl)xanthen-9-one |
| SMILES (Canonical) | CC(=CCC1=C(C2=C(C=C1O)OC3=C(C2=O)C(=C(C(=C3)O)OC)CC=C(C)C)O)C |
| SMILES (Isomeric) | 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 |
| InChI Key | GNRIZKKCNOBBMO-UHFFFAOYSA-N |
| Popularity | 676 references in papers |
| Molecular Formula | C24H26O6 |
| Molecular Weight | 410.50 g/mol |
| Exact Mass | 410.17293854 g/mol |
| Topological Polar Surface Area (TPSA) | 96.20 Ų |
| XlogP | 6.30 |
| 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 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] |
19952.6 nM 28183.8 nM |
Potency Potency |
via CMAUP
via CMAUP |
| CHEMBL3708265 | P36639 | 7,8-dihydro-8-oxoguanine triphosphatase |
470 nM |
IC50 |
via Super-PRED
|
| CHEMBL3577 | P00352 | Aldehyde dehydrogenase 1A1 |
39810.7 nM |
Potency |
via CMAUP
|
| CHEMBL3687 | P18054 | Arachidonate 12-lipoxygenase |
580 nM 580 nM |
IC50 IC50 |
via Super-PRED
PMID: 17826100 |
| CHEMBL2903 | P16050 | Arachidonate 15-lipoxygenase |
3100 nM |
IC50 |
PMID: 17826100
|
| CHEMBL4096 | P04637 | Cellular tumor antigen p53 |
31622.8 nM 31622.8 nM 31622.8 nM |
Potency Potency Potency |
via CMAUP
via CMAUP via CMAUP |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 |
20700 nM |
IC50 |
PMID: 18558747
|
| CHEMBL3622 | P33261 | Cytochrome P450 2C19 |
10000 nM |
Potency |
via CMAUP
|
| CHEMBL3397 | P11712 | Cytochrome P450 2C9 |
5011.9 nM |
Potency |
via CMAUP
|
| CHEMBL289 | P10635 | Cytochrome P450 2D6 |
31622.8 nM |
Potency |
via CMAUP
|
| CHEMBL340 | P08684 | Cytochrome P450 3A4 |
39810.7 nM 39810.7 nM 39810.7 nM 39810.7 nM |
Potency Potency Potency Potency |
via CMAUP
via CMAUP via CMAUP via CMAUP |
| CHEMBL4159 | Q99714 | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein |
39810.7 nM 10000 nM |
Potency Potency |
via CMAUP
via CMAUP |
| CHEMBL4158 | P49327 | Fatty acid synthase |
5540 nM |
IC50 |
PMID: 20817450
|
| CHEMBL2007625 | O75874 | Isocitrate dehydrogenase [NADP] cytoplasmic |
2850 nM |
Ki |
PMID: 26508549
|
| CHEMBL1293226 | B2RXH2 | Lysine-specific demethylase 4D-like |
39810.7 nM 25118.9 nM |
Potency Potency |
via CMAUP
via CMAUP |
| CHEMBL4040 | P28482 | MAP kinase ERK2 |
19952.6 nM |
Potency |
via CMAUP
|
| CHEMBL1293224 | P10636 | Microtubule-associated protein tau |
2818.4 nM 7943.3 nM 2511.9 nM 2818.4 nM 11220.2 nM 22387.2 nM 11220.2 nM 3548.1 nM |
Potency Potency Potency Potency Potency Potency Potency Potency |
via CMAUP
via CMAUP via CMAUP via CMAUP via CMAUP via CMAUP via CMAUP via CMAUP |
| CHEMBL5533 | Q04206 | Nuclear factor NF-kappa-B p65 subunit |
15900 nM |
IC50 |
PMID: 19839614
|
| CHEMBL1293227 | O75604 | Ubiquitin carboxyl-terminal hydrolase 2 |
10000 nM |
Potency |
via CMAUP
|
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.36% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.62% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.22% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.29% | 94.73% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.76% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.29% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.95% | 85.14% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 88.69% | 89.34% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.02% | 89.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.88% | 99.17% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.60% | 96.95% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 84.53% | 98.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.44% | 95.56% |
| CHEMBL3194 | P02766 | Transthyretin | 81.40% | 90.71% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.91% | 96.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| PubChem | 5281650 |
| NPASS | NPC228785 |
| ChEMBL | CHEMBL323197 |
| LOTUS | LTS0021260 |
| wikiData | Q105215683 |