5-[[(2S,3S,4S,5R)-5-[(3,4-dimethoxyphenyl)methoxy]-3,4-dimethyloxolan-2-yl]oxymethyl]-1,3-benzodioxole
| Internal ID | 5a18c077-edcc-4993-83ca-399835be6e92 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Methoxybenzenes > Dimethoxybenzenes |
| IUPAC Name | 5-[[(2S,3S,4S,5R)-5-[(3,4-dimethoxyphenyl)methoxy]-3,4-dimethyloxolan-2-yl]oxymethyl]-1,3-benzodioxole |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H28O7/c1-14-15(2)23(27-12-17-6-8-19-21(10-17)29-13-28-19)30-22(14)26-11-16-5-7-18(24-3)20(9-16)25-4/h5-10,14-15,22-23H,11-13H2,1-4H3/t14-,15-,22+,23-/m0/s1 |
| InChI Key | OSEQANKLJOXPBT-VJQGEEPHSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C23H28O7 |
| Molecular Weight | 416.50 g/mol |
| Exact Mass | 416.18350323 g/mol |
| Topological Polar Surface Area (TPSA) | 64.60 Ų |
| XlogP | 4.20 |
| There are no found synonyms. |
![2D Structure of 5-[[(2S,3S,4S,5R)-5-[(3,4-dimethoxyphenyl)methoxy]-3,4-dimethyloxolan-2-yl]oxymethyl]-1,3-benzodioxole](https://plantaedb.com/storage/docs/compounds/2023/11/0686f540-85bb-11ee-81c1-89fb898b2068.jpg "2D Structure of 5-[[(2S,3S,4S,5R)-5-[(3,4-dimethoxyphenyl)methoxy]-3,4-dimethyloxolan-2-yl]oxymethyl]-1,3-benzodioxole")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.84% | 96.09% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 95.28% | 94.80% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.89% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.24% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.78% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.14% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.47% | 85.14% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 90.04% | 89.62% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.37% | 99.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.20% | 95.89% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 89.09% | 96.77% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.65% | 92.62% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 87.40% | 96.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.77% | 90.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.28% | 97.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.13% | 97.09% |
| CHEMBL240 | Q12809 | HERG | 85.12% | 89.76% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.60% | 95.89% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 84.25% | 89.50% |
| CHEMBL264 | Q9Y5N1 | Histamine H3 receptor | 84.03% | 91.43% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.67% | 94.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.57% | 98.75% |
| CHEMBL5896 | O75164 | Lysine-specific demethylase 4A | 82.26% | 99.09% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 82.06% | 82.67% |
| CHEMBL6175 | Q9H3R0 | Lysine-specific demethylase 4C | 81.94% | 96.69% |
| CHEMBL5555 | O00767 | Acyl-CoA desaturase | 80.73% | 97.50% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 80.09% | 90.20% |
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.
| Urbanodendron verrucosum |
| PubChem | 162931178 |
| LOTUS | LTS0095551 |
| wikiData | Q105198837 |