Naphthalenecarboxylate B
| Internal ID | 424da040-9e29-48bd-b7fd-80f20532e4ae |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | (2S,3S,4S,5R,6S)-6-(6-carboxy-4-hydroxy-2-methylnaphthalen-1-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C18H18O10/c1-6-4-10(19)9-5-7(16(23)24)2-3-8(9)14(6)27-18-13(22)11(20)12(21)15(28-18)17(25)26/h2-5,11-13,15,18-22H,1H3,(H,23,24)(H,25,26)/t11-,12-,13+,15-,18+/m0/s1 |
| InChI Key | TVFPZHZGPPUOSD-FRTWLMODSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C18H18O10 |
| Molecular Weight | 394.30 g/mol |
| Exact Mass | 394.08999677 g/mol |
| Topological Polar Surface Area (TPSA) | 174.00 Ų |
| XlogP | 0.80 |
| (2S,3S,4S,5R,6S)-6-(6-carboxy-4-hydroxy-2-methylnaphthalen-1-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid |
| RefChem:164612 |
| CHEBI:211803 |
| 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 | 99.67% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.35% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.97% | 95.56% |
| CHEMBL3194 | P02766 | Transthyretin | 94.64% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.72% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.32% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.12% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.30% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.46% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.57% | 99.23% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.33% | 90.00% |
| CHEMBL1811 | P34995 | Prostanoid EP1 receptor | 81.67% | 95.71% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.74% | 97.21% |
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.
| There are no matching plants. |
| PubChem | 146683524 |
| LOTUS | LTS0068496 |
| wikiData | Q105265256 |