4,11-Dihydroxy-16-methyl-12-pentyl-2,13-dioxatricyclo[13.3.1.03,8]nonadeca-1(19),3(8),4,6,9,15,17-heptaen-14-one
| Internal ID | 55e6cbbb-c45b-4a68-ace9-558602092fd7 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Ethers > Diarylethers |
| IUPAC Name | 4,11-dihydroxy-16-methyl-12-pentyl-2,13-dioxatricyclo[13.3.1.03,8]nonadeca-1(19),3(8),4,6,9,15,17-heptaen-14-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H26O5/c1-3-4-5-9-21-19(24)13-11-16-7-6-8-20(25)22(16)27-17-12-10-15(2)18(14-17)23(26)28-21/h6-8,10-14,19,21,24-25H,3-5,9H2,1-2H3 |
| InChI Key | FAXYTGRENYUAJU-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H26O5 |
| Molecular Weight | 382.40 g/mol |
| Exact Mass | 382.17802393 g/mol |
| Topological Polar Surface Area (TPSA) | 76.00 Ų |
| XlogP | 5.40 |
| There are no found synonyms. |
![2D Structure of 4,11-Dihydroxy-16-methyl-12-pentyl-2,13-dioxatricyclo[13.3.1.03,8]nonadeca-1(19),3(8),4,6,9,15,17-heptaen-14-one](https://plantaedb.com/storage/docs/compounds/2023/11/14ec0420-85a3-11ee-b393-eb0e512acc8f.jpg "2D Structure of 4,11-Dihydroxy-16-methyl-12-pentyl-2,13-dioxatricyclo[13.3.1.03,8]nonadeca-1(19),3(8),4,6,9,15,17-heptaen-14-one")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.97% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.67% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 95.51% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.67% | 99.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.30% | 91.11% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 89.35% | 92.08% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.06% | 99.23% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 88.80% | 96.95% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 88.48% | 93.03% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 87.84% | 89.63% |
| CHEMBL5145 | P15056 | Serine/threonine-protein kinase B-raf | 87.29% | 97.90% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.28% | 86.33% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.18% | 93.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.13% | 89.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 85.06% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.58% | 96.09% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 84.22% | 90.93% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.81% | 97.21% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.31% | 96.00% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 81.28% | 96.37% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.17% | 93.40% |
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 | 163039157 |
| LOTUS | LTS0092992 |
| wikiData | Q103818853 |