Marinone
| Internal ID | b3d9629a-5c74-409a-882e-548f141db410 |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans > Naphthopyranones |
| IUPAC Name | (4aR,5S,12bS)-11-bromo-8,10-dihydroxy-2,5-dimethyl-5-(4-methylpent-3-enyl)-3,4,4a,12b-tetrahydronaphtho[2,3-c]isochromene-7,12-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H27BrO5/c1-12(2)6-5-9-25(4)15-8-7-13(3)10-14(15)18-22(29)20-19(23(30)24(18)31-25)16(27)11-17(28)21(20)26/h6,10-11,14-15,27-28H,5,7-9H2,1-4H3/t14-,15+,25-/m0/s1 |
| InChI Key | DONXAKUQFKTOAJ-AYNSBQOLSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C25H27BrO5 |
| Molecular Weight | 487.40 g/mol |
| Exact Mass | 486.10419 g/mol |
| Topological Polar Surface Area (TPSA) | 83.80 Ų |
| XlogP | 6.00 |
| DTXSID801028283 |
| 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 | 99.45% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.79% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.18% | 94.45% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 95.02% | 96.38% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 94.67% | 92.94% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.30% | 98.95% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 93.86% | 94.75% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 92.73% | 91.38% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 91.67% | 100.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.66% | 94.73% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 91.63% | 93.40% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.03% | 89.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 90.28% | 93.03% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 88.85% | 89.05% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 88.50% | 80.00% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 88.00% | 91.24% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.25% | 95.89% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 86.24% | 93.99% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.95% | 99.23% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.09% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.37% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.61% | 86.33% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 82.08% | 95.93% |
| CHEMBL1871 | P10275 | Androgen Receptor | 81.47% | 96.43% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 80.44% | 93.18% |
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.
| There are no matching plants. |
| PubChem | 10458149 |
| LOTUS | LTS0213680 |
| wikiData | Q15634218 |