Methoxydebromomarinone
| Internal ID | a268daef-4fa1-4c47-b048-8cbbb1970bb0 |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans > Naphthopyranones |
| IUPAC Name | (2S,4aR,5S)-8,10-dihydroxy-2-methoxy-2,5-dimethyl-5-(4-methylpent-3-enyl)-4,4a-dihydro-3H-naphtho[2,3-c]isochromene-7,12-dione |
| SMILES (Canonical) | CC(=CCCC1(C2CCC(C=C2C3=C(O1)C(=O)C4=C(C3=O)C=C(C=C4O)O)(C)OC)C)C |
| SMILES (Isomeric) | CC(=CCC[C@]1([C@@H]2CC[C@](C=C2C3=C(O1)C(=O)C4=C(C3=O)C=C(C=C4O)O)(C)OC)C)C |
| InChI | InChI=1S/C26H30O6/c1-14(2)7-6-9-26(4)18-8-10-25(3,31-5)13-17(18)21-22(29)16-11-15(27)12-19(28)20(16)23(30)24(21)32-26/h7,11-13,18,27-28H,6,8-10H2,1-5H3/t18-,25+,26+/m1/s1 |
| InChI Key | MKGDDGSJZJVAIY-LROUJFHJSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C26H30O6 |
| Molecular Weight | 438.50 g/mol |
| Exact Mass | 438.20423867 g/mol |
| Topological Polar Surface Area (TPSA) | 93.10 Ų |
| XlogP | 4.60 |
| There are no found synonyms. |
| 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 | 99.51% | 91.11% |
| CHEMBL240 | Q12809 | HERG | 96.66% | 89.76% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.58% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.38% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.41% | 98.95% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 95.12% | 94.75% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.86% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.18% | 95.56% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 93.24% | 96.38% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.20% | 99.23% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 91.95% | 92.94% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.78% | 96.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 90.97% | 93.40% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.24% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.30% | 95.89% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.71% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.43% | 86.33% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 86.87% | 96.12% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.52% | 90.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.62% | 94.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.13% | 97.09% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.03% | 92.62% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 81.67% | 97.28% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 81.46% | 82.38% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.27% | 99.15% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.20% | 97.14% |
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 | 10550986 |
| LOTUS | LTS0130396 |
| wikiData | Q77491115 |