3-[14-(2,3-Dihydroxyphenyl)tetradec-8-enyl]benzene-1,2-diol
| Internal ID | cb6b18cc-ffc1-4f29-8e71-4042b9b4fe02 |
| Taxonomy | Benzenoids > Phenols > Benzenediols > Catechols |
| IUPAC Name | 3-[14-(2,3-dihydroxyphenyl)tetradec-8-enyl]benzene-1,2-diol |
| SMILES (Canonical) | C1=CC(=C(C(=C1)O)O)CCCCCCCC=CCCCCCC2=C(C(=CC=C2)O)O |
| SMILES (Isomeric) | C1=CC(=C(C(=C1)O)O)CCCCCCCC=CCCCCCC2=C(C(=CC=C2)O)O |
| InChI | InChI=1S/C26H36O4/c27-23-19-13-17-21(25(23)29)15-11-9-7-5-3-1-2-4-6-8-10-12-16-22-18-14-20-24(28)26(22)30/h1,3,13-14,17-20,27-30H,2,4-12,15-16H2 |
| InChI Key | NAKZWEKDEOZWPV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H36O4 |
| Molecular Weight | 412.60 g/mol |
| Exact Mass | 412.26135963 g/mol |
| Topological Polar Surface Area (TPSA) | 80.90 Ų |
| XlogP | 8.30 |
| There are no found synonyms. |
![2D Structure of 3-[14-(2,3-Dihydroxyphenyl)tetradec-8-enyl]benzene-1,2-diol](https://plantaedb.com/storage/docs/compounds/2023/11/3-14-23-dihydroxyphenyltetradec-8-enylbenzene-12-diol.jpg "2D Structure of 3-[14-(2,3-Dihydroxyphenyl)tetradec-8-enyl]benzene-1,2-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 | 98.80% | 91.11% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 93.81% | 93.99% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.90% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.40% | 94.73% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 89.14% | 83.57% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.62% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.96% | 95.56% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 86.34% | 96.25% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.87% | 94.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.88% | 86.33% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 84.74% | 98.11% |
| CHEMBL3891 | P07384 | Calpain 1 | 82.84% | 93.04% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.31% | 96.09% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 80.16% | 97.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 78201234 |
| LOTUS | LTS0062379 |
| wikiData | Q104172225 |