3,5-Dimethoxy-4-[(alpha-L-rhamnopyranosyl)oxy]benzoic acid methyl ester
| Internal ID | 2e0346e5-67cf-450b-a086-4b41575f23ba |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | methyl 3,5-dimethoxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxybenzoate |
| SMILES (Canonical) | CC1C(C(C(C(O1)OC2=C(C=C(C=C2OC)C(=O)OC)OC)O)O)O |
| SMILES (Isomeric) | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(C=C(C=C2OC)C(=O)OC)OC)O)O)O |
| InChI | InChI=1S/C16H22O9/c1-7-11(17)12(18)13(19)16(24-7)25-14-9(21-2)5-8(15(20)23-4)6-10(14)22-3/h5-7,11-13,16-19H,1-4H3/t7-,11-,12+,13+,16-/m0/s1 |
| InChI Key | DNTCXDVSHGJREC-BEUGDGFMSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C16H22O9 |
| Molecular Weight | 358.34 g/mol |
| Exact Mass | 358.12638228 g/mol |
| Topological Polar Surface Area (TPSA) | 124.00 Ų |
| XlogP | 0.10 |
| CHEBI:181538 |
| 3,5-Dimethoxy-4-[(alpha-L-rhamnopyranosyl)oxy]benzoic acid methyl ester |
| AKOS040738230 |
| NCGC00384861-01 |
| methyl 3,5-dimethoxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxybenzoate |
| NCGC00384861-01_C16H22O9_Methyl 4-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-3,5-dimethoxybenzoate |
![2D Structure of 3,5-Dimethoxy-4-[(alpha-L-rhamnopyranosyl)oxy]benzoic acid methyl ester](https://plantaedb.com/storage/docs/compounds/2023/11/35-dimethoxy-4-alpha-l-rhamnopyranosyloxybenzoic-acid-methyl-ester.jpg "2D Structure of 3,5-Dimethoxy-4-[(alpha-L-rhamnopyranosyl)oxy]benzoic acid methyl ester")
| 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 | 94.73% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.64% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.47% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.06% | 86.33% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.68% | 98.75% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.36% | 90.00% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 86.17% | 81.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.31% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.87% | 89.00% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 83.78% | 87.67% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.59% | 94.73% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.40% | 95.89% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.88% | 96.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.50% | 90.71% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.62% | 85.14% |
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.
| Fagraea gracilipes |
| PubChem | 21672555 |
| LOTUS | LTS0273598 |
| wikiData | Q104985731 |