10a-[(3-chloro-6-hydroxy-2,2,6-trimethylcyclohexyl)methyl]-3,6,8-trihydroxy-2,2-dimethyl-3H-benzo[g]chromene-5,10-dione
| Internal ID | a3a2bfde-65a4-4d6e-8c38-a56fffbae5e1 |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans > Naphthopyranones |
| IUPAC Name | 10a-[(3-chloro-6-hydroxy-2,2,6-trimethylcyclohexyl)methyl]-3,6,8-trihydroxy-2,2-dimethyl-3H-benzo[g]chromene-5,10-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H31ClO7/c1-22(2)16(24(5,32)7-6-17(22)26)11-25-14(10-18(29)23(3,4)33-25)20(30)19-13(21(25)31)8-12(27)9-15(19)28/h8-10,16-18,27-29,32H,6-7,11H2,1-5H3 |
| InChI Key | JFLNWCYVXTXVNU-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H31ClO7 |
| Molecular Weight | 479.00 g/mol |
| Exact Mass | 478.1758310 g/mol |
| Topological Polar Surface Area (TPSA) | 124.00 Ų |
| XlogP | 3.40 |
| There are no found synonyms. |
![2D Structure of 10a-[(3-chloro-6-hydroxy-2,2,6-trimethylcyclohexyl)methyl]-3,6,8-trihydroxy-2,2-dimethyl-3H-benzo[g]chromene-5,10-dione](https://plantaedb.com/storage/docs/compounds/2023/11/8051f620-869f-11ee-ad2b-5d980f9b75b2.jpg "2D Structure of 10a-[(3-chloro-6-hydroxy-2,2,6-trimethylcyclohexyl)methyl]-3,6,8-trihydroxy-2,2-dimethyl-3H-benzo[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 | 98.83% | 91.11% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 97.51% | 96.38% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.92% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.11% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.89% | 95.56% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 91.48% | 93.40% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.46% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.47% | 94.45% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 90.24% | 95.93% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 89.19% | 91.49% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.24% | 95.89% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.17% | 99.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.99% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.93% | 100.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.85% | 92.94% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.04% | 94.75% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 81.81% | 85.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.32% | 94.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.74% | 96.95% |
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 | 162948540 |
| LOTUS | LTS0078021 |
| wikiData | Q104169473 |