2-hydroxy-6-[16-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptadecyl]benzoic acid
| Internal ID | a2102a1f-695c-44ed-99b4-c6fcbd42ee5d |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl glycosides > Fatty acyl glycosides of mono- and disaccharides |
| IUPAC Name | 2-hydroxy-6-[16-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptadecyl]benzoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H50O9/c1-21(38-30-28(35)27(34)26(33)24(20-31)39-30)16-13-11-9-7-5-3-2-4-6-8-10-12-14-17-22-18-15-19-23(32)25(22)29(36)37/h15,18-19,21,24,26-28,30-35H,2-14,16-17,20H2,1H3,(H,36,37)/t21?,24-,26-,27+,28+,30-/m1/s1 |
| InChI Key | ODOOFVGHZRHKCR-VMZHGOSMSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C30H50O9 |
| Molecular Weight | 554.70 g/mol |
| Exact Mass | 554.34548317 g/mol |
| Topological Polar Surface Area (TPSA) | 157.00 Ų |
| XlogP | 7.30 |
| There are no found synonyms. |
![2D Structure of 2-hydroxy-6-[16-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptadecyl]benzoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/3fe04e50-8610-11ee-b216-99eca7ef5ef0.jpg "2D Structure of 2-hydroxy-6-[16-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptadecyl]benzoic acid")
| 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 | 98.63% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.63% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.53% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 96.26% | 94.73% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 91.54% | 93.56% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.15% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 91.00% | 96.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.94% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.99% | 86.33% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 81.96% | 94.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.18% | 97.09% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.80% | 95.50% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 80.60% | 83.57% |
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.
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| There are no matching plants. |
| PubChem | 163188359 |
| LOTUS | LTS0069082 |
| wikiData | Q105189960 |