| BioID | bio2685 |
|---|
| Name | MANGOSTANIN |
|---|
| ChEMBL ID | CHEMBL561643 |
|---|
| Molecular Formula | C24H24O6 |
|---|
| Molecular Weight | 408.45 |
|---|
| Molecular Weight (Monoisotopic) | 408.1573 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | 9-Hydroxycalabaxanthone|Mangostanin |
|---|
| Smiles | COc1c(O)cc2oc3cc4c(c(O)c3c(=O)c2c1CC=C(C)C)C=CC(C)(C)O4 |
|---|
| Inchi | InChI=1S/C24H24O6/c1-12(2)6-7-14-19-17(10-15(25)23(14)28-5)29-18-11-16-13(8-9-24(3,4)30-16)21(26)20(18)22(19)27/h6,8-11,25-26H,7H2,1-5H3 |
|---|
| Inchi Key | HQWHKELJHUFLGD-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 29.0 |
|---|
| Bioactivities | 37.0 |
|---|
| Np Likeness Score | 2.82 |
|---|
| Records Key | ['8', '5', '2', '12a', '10', 'Table 1, 58', '2', '4', '8', '26', '1', '1', '1', '3'] |
|---|
| Records Name | ['9-hydroxycalabaxanthone', 'mangostanin', 1,6-dihydroxy-7-methoxy-8-(3-methylbut-2-enyl)-6',6'-dimethylpyrano(2',3':3,2)xanthone", '5,9-dihydroxy-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)pyrano[3,2-b]xanthen-6(2H)-one', 'mangostanin', '9-Hydroxycalabaxanthone', '9-hydroxycalabaxanthone', '9-hydroxycalabaxanthone', 'Mangostanin', '9-hydroxycalabaxanthone', '5,9-Dihydroxy-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-en-1-yl)-2H,6H-pyrano[3,2-b]xanthen-6-one', 'Mangostanin', 'Mangostanin', '9-Hydroxycalabaxanthone']" |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
