2-(Hydroxymethyl)-6-[(5-methoxy-6-prop-2-enyl-1,3-benzodioxol-4-yl)oxy]oxane-3,4,5-triol
| Internal ID | a56f13d0-ffcd-44ee-9df0-3f90629954c4 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | 2-(hydroxymethyl)-6-[(5-methoxy-6-prop-2-enyl-1,3-benzodioxol-4-yl)oxy]oxane-3,4,5-triol |
| SMILES (Canonical) | COC1=C(C2=C(C=C1CC=C)OCO2)OC3C(C(C(C(O3)CO)O)O)O |
| SMILES (Isomeric) | COC1=C(C2=C(C=C1CC=C)OCO2)OC3C(C(C(C(O3)CO)O)O)O |
| InChI | InChI=1S/C17H22O9/c1-3-4-8-5-9-15(24-7-23-9)16(14(8)22-2)26-17-13(21)12(20)11(19)10(6-18)25-17/h3,5,10-13,17-21H,1,4,6-7H2,2H3 |
| InChI Key | TUDSCAUWKFENRC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H22O9 |
| Molecular Weight | 370.40 g/mol |
| Exact Mass | 370.12638228 g/mol |
| Topological Polar Surface Area (TPSA) | 127.00 Ų |
| XlogP | 0.60 |
| There are no found synonyms. |
![2D Structure of 2-(Hydroxymethyl)-6-[(5-methoxy-6-prop-2-enyl-1,3-benzodioxol-4-yl)oxy]oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/2-hydroxymethyl-6-5-methoxy-6-prop-2-enyl-13-benzodioxol-4-yloxyoxane-345-triol.jpg "2D Structure of 2-(Hydroxymethyl)-6-[(5-methoxy-6-prop-2-enyl-1,3-benzodioxol-4-yl)oxy]oxane-3,4,5-triol")
| 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 | 98.22% | 91.11% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 96.48% | 96.77% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.40% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.93% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.32% | 94.73% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.05% | 96.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.80% | 92.62% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 86.56% | 95.93% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.26% | 99.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.11% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.47% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.00% | 95.56% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.80% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.45% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.03% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.42% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.40% | 90.00% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 80.24% | 97.47% |
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.
| Collinsonia japonica |
| Perilla frutescens |
| PubChem | 75306307 |
| LOTUS | LTS0226061 |
| wikiData | Q105264677 |