(2R,3R,4S,5S,6R)-2-[(2R)-2-[(1S,4R)-5-hydroxy-6-methoxy-4,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl]propoxy]-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
| Internal ID | ac7e85f1-7ebb-409b-8118-b176d49e5a48 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides |
| IUPAC Name | (2R,3R,4S,5S,6R)-2-[(2R)-2-[(1S,4R)-5-hydroxy-6-methoxy-4,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl]propoxy]-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H42O12/c1-11-5-6-14(15-7-12(2)25(35-4)21(31)18(11)15)13(3)8-36-27-24(34)22(32)20(30)17(39-27)10-38-26-23(33)19(29)16(28)9-37-26/h7,11,13-14,16-17,19-20,22-24,26-34H,5-6,8-10H2,1-4H3/t11-,13+,14+,16-,17-,19+,20-,22+,23-,24-,26+,27-/m1/s1 |
| InChI Key | SGTULVUZPPHXQU-VYNMKBNTSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C27H42O12 |
| Molecular Weight | 558.60 g/mol |
| Exact Mass | 558.26762677 g/mol |
| Topological Polar Surface Area (TPSA) | 188.00 Ų |
| XlogP | -0.20 |
| There are no found synonyms. |
![2D Structure of (2R,3R,4S,5S,6R)-2-[(2R)-2-[(1S,4R)-5-hydroxy-6-methoxy-4,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl]propoxy]-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/53b84e50-83db-11ee-94d9-636647fed520.jpg "2D Structure of (2R,3R,4S,5S,6R)-2-[(2R)-2-[(1S,4R)-5-hydroxy-6-methoxy-4,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl]propoxy]-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]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 | 99.22% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.30% | 98.95% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 96.28% | 89.62% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.55% | 96.09% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 91.82% | 93.18% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 89.99% | 95.89% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.25% | 85.14% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.22% | 97.25% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.26% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.78% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.75% | 97.09% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 85.38% | 90.24% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.06% | 86.33% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.25% | 92.94% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.72% | 92.62% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.45% | 94.45% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.31% | 96.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 82.49% | 95.93% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.00% | 99.15% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.98% | 94.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.09% | 90.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.93% | 90.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.77% | 99.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.14% | 93.56% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 80.07% | 80.33% |
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.
| Alangium premnifolium |
| PubChem | 163094628 |
| LOTUS | LTS0087513 |
| wikiData | Q105252618 |