2-(4,8-Dihydroxy-6-methylnaphthalen-1-yl)oxy-6-(hydroxymethyl)oxane-3,4,5-triol
| Internal ID | 62679a8c-b53f-4480-9539-155ea03c3c95 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | 2-(4,8-dihydroxy-6-methylnaphthalen-1-yl)oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| SMILES (Canonical) | CC1=CC2=C(C=CC(=C2C(=C1)O)OC3C(C(C(C(O3)CO)O)O)O)O |
| SMILES (Isomeric) | CC1=CC2=C(C=CC(=C2C(=C1)O)OC3C(C(C(C(O3)CO)O)O)O)O |
| InChI | InChI=1S/C17H20O8/c1-7-4-8-9(19)2-3-11(13(8)10(20)5-7)24-17-16(23)15(22)14(21)12(6-18)25-17/h2-5,12,14-23H,6H2,1H3 |
| InChI Key | WTSSDILBTNLFAD-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H20O8 |
| Molecular Weight | 352.30 g/mol |
| Exact Mass | 352.11581759 g/mol |
| Topological Polar Surface Area (TPSA) | 140.00 Ų |
| XlogP | 0.70 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.66% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.47% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.82% | 96.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.06% | 94.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.85% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.86% | 89.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 88.44% | 89.62% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 87.83% | 96.21% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.43% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.93% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.99% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.98% | 95.89% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.73% | 99.15% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 80.00% | 93.65% |
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.
| Drosera rotundifolia |
| Nepenthes insignis |
| PubChem | 163038782 |
| LOTUS | LTS0103020 |
| wikiData | Q105312780 |