2-(Hydroxymethyl)-6-(2,6,7-trihydroxy-7-methyl-3-methylideneoctoxy)oxane-3,4,5-triol
| Internal ID | 57983688-1c88-42c4-92e6-3280442c3f90 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl glycosides > Fatty acyl glycosides of mono- and disaccharides |
| IUPAC Name | 2-(hydroxymethyl)-6-(2,6,7-trihydroxy-7-methyl-3-methylideneoctoxy)oxane-3,4,5-triol |
| SMILES (Canonical) | CC(C)(C(CCC(=C)C(COC1C(C(C(C(O1)CO)O)O)O)O)O)O |
| SMILES (Isomeric) | CC(C)(C(CCC(=C)C(COC1C(C(C(C(O1)CO)O)O)O)O)O)O |
| InChI | InChI=1S/C16H30O9/c1-8(4-5-11(19)16(2,3)23)9(18)7-24-15-14(22)13(21)12(20)10(6-17)25-15/h9-15,17-23H,1,4-7H2,2-3H3 |
| InChI Key | KCAYCKZTNBMWEB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H30O9 |
| Molecular Weight | 366.40 g/mol |
| Exact Mass | 366.18898253 g/mol |
| Topological Polar Surface Area (TPSA) | 160.00 Ų |
| XlogP | -1.90 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.75% | 97.25% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 96.33% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.70% | 96.09% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 94.87% | 96.61% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.46% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.91% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.53% | 91.11% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 89.52% | 97.29% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.35% | 99.17% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.17% | 96.47% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.37% | 85.14% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.86% | 95.89% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 81.74% | 82.50% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 80.65% | 96.21% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.28% | 93.56% |
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.
| Glehnia littoralis |
| PubChem | 85170646 |
| LOTUS | LTS0049556 |
| wikiData | Q105138657 |