4-([1,3]Dioxolo[4,5-g]isoquinolin-5-ylmethyl)phenol
| Internal ID | 7aa9379c-83e0-4ecb-9b03-96fc73d42648 |
| Taxonomy | Organoheterocyclic compounds > Isoquinolines and derivatives > Benzylisoquinolines |
| IUPAC Name | 4-([1,3]dioxolo[4,5-g]isoquinolin-5-ylmethyl)phenol |
| SMILES (Canonical) | C1OC2=C(O1)C=C3C(=C2)C=CN=C3CC4=CC=C(C=C4)O |
| SMILES (Isomeric) | C1OC2=C(O1)C=C3C(=C2)C=CN=C3CC4=CC=C(C=C4)O |
| InChI | InChI=1S/C17H13NO3/c19-13-3-1-11(2-4-13)7-15-14-9-17-16(20-10-21-17)8-12(14)5-6-18-15/h1-6,8-9,19H,7,10H2 |
| InChI Key | KRHLIEJPAKUMIW-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C17H13NO3 |
| Molecular Weight | 279.29 g/mol |
| Exact Mass | 279.08954328 g/mol |
| Topological Polar Surface Area (TPSA) | 51.60 Ų |
| XlogP | 3.50 |
| 4-([1,3]dioxolo[4,5-g]isoquinolin-5-ylmethyl)phenol |
| phenol, 4-(1,3-dioxolo[4,5-g]isoquinolin-5-ylmethyl)- |
| 1-(p-hydroxy-benzyl)-6,7-methylenedioxyisoquinoline |
| 4-[1,3]Dioxolo[4,5-g]isoquinolin-5-ylmethyl-phenol |
| InChI=1/C17H13NO3/c19-13-3-1-11(2-4-13)7-15-14-9-17-16(20-10-21-17)8-12(14)5-6-18-15/h1-6,8-9,19H,7,10H |
![2D Structure of 4-([1,3]Dioxolo[4,5-g]isoquinolin-5-ylmethyl)phenol](https://plantaedb.com/storage/docs/compounds/2023/11/4-13dioxolo45-gisoquinolin-5-ylmethylphenol.jpg "2D Structure of 4-([1,3]Dioxolo[4,5-g]isoquinolin-5-ylmethyl)phenol")
| 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 |
|---|---|---|---|---|
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 97.82% | 93.10% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.87% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.49% | 91.49% |
| CHEMBL6175 | Q9H3R0 | Lysine-specific demethylase 4C | 92.87% | 96.69% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.07% | 94.45% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 91.79% | 95.50% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 91.35% | 96.77% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.34% | 94.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.56% | 99.17% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.67% | 92.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.49% | 86.33% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.48% | 99.15% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 86.45% | 89.44% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.79% | 98.75% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.57% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.37% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.13% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.01% | 89.00% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 81.27% | 85.49% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 80.90% | 95.78% |
| CHEMBL1952 | P04818 | Thymidylate synthase | 80.90% | 93.53% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.53% | 95.89% |
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.
| Neolitsea acuminatissima |
| PubChem | 636843 |
| LOTUS | LTS0075964 |
| wikiData | Q105145013 |