3-Chloro-6-hydroxy-8-methoxy-2,2-dimethyl-3,4-dihydrobenzo[g]chromene-5,10-dione
| Internal ID | 45a4645d-9e5c-4253-b0a2-2ad0998812bf |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans > Naphthopyranones |
| IUPAC Name | 3-chloro-6-hydroxy-8-methoxy-2,2-dimethyl-3,4-dihydrobenzo[g]chromene-5,10-dione |
| SMILES (Canonical) | CC1(C(CC2=C(O1)C(=O)C3=C(C2=O)C(=CC(=C3)OC)O)Cl)C |
| SMILES (Isomeric) | CC1(C(CC2=C(O1)C(=O)C3=C(C2=O)C(=CC(=C3)OC)O)Cl)C |
| InChI | InChI=1S/C16H15ClO5/c1-16(2)11(17)6-9-13(19)12-8(14(20)15(9)22-16)4-7(21-3)5-10(12)18/h4-5,11,18H,6H2,1-3H3 |
| InChI Key | ODBXTRLSXWKGLK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H15ClO5 |
| Molecular Weight | 322.74 g/mol |
| Exact Mass | 322.0608013 g/mol |
| Topological Polar Surface Area (TPSA) | 72.80 Ų |
| XlogP | 3.10 |
| There are no found synonyms. |
![2D Structure of 3-Chloro-6-hydroxy-8-methoxy-2,2-dimethyl-3,4-dihydrobenzo[g]chromene-5,10-dione](https://plantaedb.com/storage/docs/compounds/2023/11/3-chloro-6-hydroxy-8-methoxy-22-dimethyl-34-dihydrobenzogchromene-510-dione.jpg "2D Structure of 3-Chloro-6-hydroxy-8-methoxy-2,2-dimethyl-3,4-dihydrobenzo[g]chromene-5,10-dione")
| 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 | 98.62% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.16% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.17% | 94.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.31% | 99.15% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.05% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.68% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.57% | 89.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.15% | 90.00% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 89.03% | 92.68% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.95% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.88% | 94.73% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.24% | 91.19% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 87.65% | 91.49% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 87.44% | 97.14% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.35% | 92.94% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.22% | 99.23% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 86.76% | 95.53% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 86.29% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.03% | 85.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.99% | 95.89% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.65% | 91.07% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 84.51% | 96.38% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.43% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.32% | 86.33% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 83.61% | 96.77% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 80.85% | 96.00% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 80.53% | 96.21% |
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 | 74336611 |
| LOTUS | LTS0029618 |
| wikiData | Q104193256 |