5-Hydroxy-2-(1-hydroxy-4-oxocyclohexyl)-7-methoxy-2,3-dihydrochromen-4-one
| Internal ID | d8410464-2650-4fcb-a48b-34913aee8a03 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Chromones |
| IUPAC Name | 5-hydroxy-2-(1-hydroxy-4-oxocyclohexyl)-7-methoxy-2,3-dihydrochromen-4-one |
| SMILES (Canonical) | COC1=CC(=C2C(=O)CC(OC2=C1)C3(CCC(=O)CC3)O)O |
| SMILES (Isomeric) | COC1=CC(=C2C(=O)CC(OC2=C1)C3(CCC(=O)CC3)O)O |
| InChI | InChI=1S/C16H18O6/c1-21-10-6-11(18)15-12(19)8-14(22-13(15)7-10)16(20)4-2-9(17)3-5-16/h6-7,14,18,20H,2-5,8H2,1H3 |
| InChI Key | FAQZKDGZPCJHSW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H18O6 |
| Molecular Weight | 306.31 g/mol |
| Exact Mass | 306.11033829 g/mol |
| Topological Polar Surface Area (TPSA) | 93.10 Ų |
| XlogP | 1.00 |
| 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 | 99.38% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.02% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.01% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.49% | 96.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.18% | 99.15% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.82% | 94.45% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.37% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.52% | 99.23% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 88.21% | 91.07% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 88.08% | 93.40% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.84% | 90.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.05% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.36% | 98.95% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 84.44% | 92.68% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.05% | 97.14% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.99% | 92.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.80% | 89.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.58% | 92.94% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.57% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.53% | 86.33% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 82.61% | 80.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 81.07% | 93.99% |
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.
| Ongokea gore |
| PubChem | 162963063 |
| LOTUS | LTS0080079 |
| wikiData | Q104992398 |