(3R)-3,4-Dihydro-8-hydroxy-3-tridecyl-1H-2-benzopyran-1-one
| Internal ID | 0fbe4bdf-5499-49a8-9ab9-99a22765720d |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 2-benzopyrans |
| IUPAC Name | (3R)-8-hydroxy-3-tridecyl-3,4-dihydroisochromen-1-one |
| SMILES (Canonical) | CCCCCCCCCCCCCC1CC2=C(C(=CC=C2)O)C(=O)O1 |
| SMILES (Isomeric) | CCCCCCCCCCCCC[C@@H]1CC2=C(C(=CC=C2)O)C(=O)O1 |
| InChI | InChI=1S/C22H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-15-19-17-18-14-13-16-20(23)21(18)22(24)25-19/h13-14,16,19,23H,2-12,15,17H2,1H3/t19-/m1/s1 |
| InChI Key | GEFWCROCDVGECH-LJQANCHMSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H34O3 |
| Molecular Weight | 346.50 g/mol |
| Exact Mass | 346.25079494 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 8.70 |
| 158627-93-1 |
| (3R)-3,4-Dihydro-8-hydroxy-3-tridecyl-1H-2-benzopyran-1-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 | 98.84% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.40% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.31% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.14% | 91.49% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 91.80% | 93.99% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.26% | 99.23% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.59% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.17% | 96.09% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 88.81% | 95.62% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.60% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.57% | 86.33% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.28% | 93.56% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 85.72% | 97.79% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 85.67% | 92.08% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.06% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.70% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.70% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.12% | 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.
| Ginkgo biloba |
| PubChem | 9997771 |
| LOTUS | LTS0138131 |
| wikiData | Q105007146 |