8,9-Dimethoxy-7-methyl-10,11-dihydrodibenzo[b,f]oxepine-1,6-diol
| Internal ID | 094079e2-db18-4efc-8a77-57d640bc020f |
| Taxonomy | Organoheterocyclic compounds > Benzoxepines > Dibenzoxepines |
| IUPAC Name | 3,4-dimethoxy-2-methyl-5,6-dihydrobenzo[b][1]benzoxepine-1,7-diol |
| SMILES (Canonical) | CC1=C(C2=C(CCC3=C(C=CC=C3O2)O)C(=C1OC)OC)O |
| SMILES (Isomeric) | CC1=C(C2=C(CCC3=C(C=CC=C3O2)O)C(=C1OC)OC)O |
| InChI | InChI=1S/C17H18O5/c1-9-14(19)16-11(17(21-3)15(9)20-2)8-7-10-12(18)5-4-6-13(10)22-16/h4-6,18-19H,7-8H2,1-3H3 |
| InChI Key | PVDUOXDXTUMWSM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H18O5 |
| Molecular Weight | 302.32 g/mol |
| Exact Mass | 302.11542367 g/mol |
| Topological Polar Surface Area (TPSA) | 68.20 Ų |
| XlogP | 3.30 |
| 5,6-Dihydro-1,7-dihydroxy-3,4-dimethoxy-2-methyldibenz[b,f]oxepin |
| 8,9-Dimethoxy-7-methyl-10,11-dihydro-dibenzo[b,f]oxepine-1,6-diol |
| dibenz[b,f]oxepin-1,6-diol, 10,11-dihydro-8,9-dimethoxy-7-methyl- |
| InChI=1/C17H18O5/c1-9-14(19)16-11(17(21-3)15(9)20-2)8-7-10-12(18)5-4-6-13(10)22-16/h4-6,18-19H,7-8H2,1-3H |
![2D Structure of 8,9-Dimethoxy-7-methyl-10,11-dihydrodibenzo[b,f]oxepine-1,6-diol](https://plantaedb.com/storage/docs/compounds/2023/11/89-dimethoxy-7-methyl-1011-dihydrodibenzobfoxepine-16-diol.jpg "2D Structure of 8,9-Dimethoxy-7-methyl-10,11-dihydrodibenzo[b,f]oxepine-1,6-diol")
| 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 | 97.47% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.61% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.95% | 94.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 88.99% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.07% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.10% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.65% | 99.23% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.99% | 98.75% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.62% | 99.15% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.57% | 94.73% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 82.04% | 93.99% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.03% | 93.56% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 80.71% | 93.65% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.21% | 86.33% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 80.00% | 91.00% |
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.
| Bauhinia variegata |
| PubChem | 641747 |
| LOTUS | LTS0097933 |
| wikiData | Q105215413 |