Bractatin
| Internal ID | fbab37f9-99c8-458d-ac2f-8f4de1979a03 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones |
| IUPAC Name | (1S,2S,13S,15R)-6,8-dihydroxy-17,17-dimethyl-5-(2-methylbut-3-en-2-yl)-15-(3-methylbut-2-enyl)-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4(9),5,7,11-tetraene-10,14-dione |
| SMILES (Canonical) | CC(=CCC12C(=O)C3CC(C14C(=C3)C(=O)C5=C(O4)C(=C(C=C5O)O)C(C)(C)C=C)C(O2)(C)C)C |
| SMILES (Isomeric) | CC(=CC[C@]12C(=O)[C@H]3C[C@H]([C@]14C(=C3)C(=O)C5=C(O4)C(=C(C=C5O)O)C(C)(C)C=C)C(O2)(C)C)C |
| InChI | InChI=1S/C28H32O6/c1-8-25(4,5)21-18(30)13-17(29)20-22(31)16-11-15-12-19-26(6,7)34-27(24(15)32,10-9-14(2)3)28(16,19)33-23(20)21/h8-9,11,13,15,19,29-30H,1,10,12H2,2-7H3/t15-,19+,27+,28-/m1/s1 |
| InChI Key | IQYGGNGWJAGSBX-XNTJLPCESA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C28H32O6 |
| Molecular Weight | 464.50 g/mol |
| Exact Mass | 464.21988874 g/mol |
| Topological Polar Surface Area (TPSA) | 93.10 Ų |
| XlogP | 5.40 |
| CHEMBL523736 |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.15% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.98% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.48% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.13% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.68% | 94.45% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 90.69% | 93.40% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.19% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.57% | 97.09% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 85.58% | 95.69% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.49% | 100.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.31% | 96.09% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 84.91% | 96.90% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 84.27% | 91.24% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.13% | 92.94% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.13% | 86.33% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 83.09% | 80.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.61% | 99.23% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 82.33% | 90.93% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.64% | 95.89% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.06% | 97.14% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.00% | 91.07% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.72% | 91.19% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.48% | 96.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.05% | 90.00% |
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.
| Garcinia lateriflora |
| PubChem | 44583731 |
| LOTUS | LTS0072125 |
| wikiData | Q105118694 |