3-Hydroxy-7-methoxy-1-pentyl-9-propyldibenzo[b,d]furan-2-carboxylic acid
| Internal ID | 26f11581-42d7-4d59-9167-1d86fe675e2b |
| Taxonomy | Organoheterocyclic compounds > Benzofurans > Dibenzofurans |
| IUPAC Name | 3-hydroxy-7-methoxy-1-pentyl-9-propyldibenzofuran-2-carboxylic acid |
| SMILES (Canonical) | CCCCCC1=C(C(=CC2=C1C3=C(C=C(C=C3O2)OC)CCC)O)C(=O)O |
| SMILES (Isomeric) | CCCCCC1=C(C(=CC2=C1C3=C(C=C(C=C3O2)OC)CCC)O)C(=O)O |
| InChI | InChI=1S/C22H26O5/c1-4-6-7-9-15-20(22(24)25)16(23)12-18-21(15)19-13(8-5-2)10-14(26-3)11-17(19)27-18/h10-12,23H,4-9H2,1-3H3,(H,24,25) |
| InChI Key | IDZVZCQOFFSQMO-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C22H26O5 |
| Molecular Weight | 370.40 g/mol |
| Exact Mass | 370.17802393 g/mol |
| Topological Polar Surface Area (TPSA) | 79.90 Ų |
| XlogP | 7.10 |
| 3-Hydroxy-7-methoxy-1-pentyl-9-propyldibenzo[b,d]furan-2-carboxylic acid |
| Didymic acid |
| DTXSID10574141 |
| CHEBI:144230 |
| 3-hydroxy-7-methoxy-1-pentyl-9-propyl-2-dibenzofurancarboxylic acid |
![2D Structure of 3-Hydroxy-7-methoxy-1-pentyl-9-propyldibenzo[b,d]furan-2-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/3-hydroxy-7-methoxy-1-pentyl-9-propyldibenzobdfuran-2-carboxylic-acid.jpg "2D Structure of 3-Hydroxy-7-methoxy-1-pentyl-9-propyldibenzo[b,d]furan-2-carboxylic acid")
| 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 | 95.61% | 91.11% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 95.20% | 92.08% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.84% | 98.95% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 94.59% | 96.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.64% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.06% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.97% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.76% | 95.56% |
| CHEMBL3194 | P02766 | Transthyretin | 89.12% | 90.71% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.02% | 96.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 85.91% | 93.99% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 85.27% | 89.63% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 85.19% | 95.50% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.98% | 96.00% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 82.50% | 94.42% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 82.10% | 97.21% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.91% | 92.62% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.87% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.13% | 99.23% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.75% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.53% | 89.00% |
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.
| There are no matching plants. |
| PubChem | 15558736 |
| LOTUS | LTS0085871 |
| wikiData | Q82463078 |