(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(E,3R,11S)-2,11,12-trihydroxy-2,6-dimethyl-10-methylidenedodec-6-en-3-yl]oxyoxane-3,4,5-triol
| Internal ID | 80f900d2-fd3d-473d-b716-ed614c61b13d |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides |
| IUPAC Name | (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(E,3R,11S)-2,11,12-trihydroxy-2,6-dimethyl-10-methylidenedodec-6-en-3-yl]oxyoxane-3,4,5-triol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H38O9/c1-12(6-5-7-13(2)14(24)10-22)8-9-16(21(3,4)28)30-20-19(27)18(26)17(25)15(11-23)29-20/h6,14-20,22-28H,2,5,7-11H2,1,3-4H3/b12-6+/t14-,15-,16-,17-,18+,19-,20+/m1/s1 |
| InChI Key | ZSFQRNHZRLRTMV-SWIOJJMMSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C21H38O9 |
| Molecular Weight | 434.50 g/mol |
| Exact Mass | 434.25158279 g/mol |
| Topological Polar Surface Area (TPSA) | 160.00 Ų |
| XlogP | 0.00 |
| There are no found synonyms. |
![2D Structure of (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(E,3R,11S)-2,11,12-trihydroxy-2,6-dimethyl-10-methylidenedodec-6-en-3-yl]oxyoxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/73bbe200-83a3-11ee-8341-bfbf38c312f0.jpg "2D Structure of (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(E,3R,11S)-2,11,12-trihydroxy-2,6-dimethyl-10-methylidenedodec-6-en-3-yl]oxyoxane-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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 98.41% | 83.82% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.34% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.00% | 97.25% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 95.41% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.46% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.32% | 98.95% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 91.00% | 96.47% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.71% | 99.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.02% | 85.14% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 86.57% | 96.61% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 84.20% | 82.50% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.69% | 95.89% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 82.80% | 97.47% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 82.67% | 97.79% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 82.21% | 98.75% |
| CHEMBL3589 | P55263 | Adenosine kinase | 82.13% | 98.05% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 80.48% | 97.29% |
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 | 16655867 |
| LOTUS | LTS0223577 |
| wikiData | Q105382488 |