(2S,3R,4S,5S,6R)-2-[(3S,6S)-2,6-dihydroxy-2,6-dimethyloct-7-en-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
| Internal ID | d1ee5f1a-313a-483e-90d8-803eb8b6454a |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl glycosides > Fatty acyl glycosides of mono- and disaccharides |
| IUPAC Name | (2S,3R,4S,5S,6R)-2-[(3S,6S)-2,6-dihydroxy-2,6-dimethyloct-7-en-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| SMILES (Canonical) | CC(C)(C(CCC(C)(C=C)O)OC1C(C(C(C(O1)CO)O)O)O)O |
| SMILES (Isomeric) | C[C@](CC[C@@H](C(C)(C)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)(C=C)O |
| InChI | InChI=1S/C16H30O8/c1-5-16(4,22)7-6-10(15(2,3)21)24-14-13(20)12(19)11(18)9(8-17)23-14/h5,9-14,17-22H,1,6-8H2,2-4H3/t9-,10+,11-,12+,13-,14+,16-/m1/s1 |
| InChI Key | KOPYZLMAIKVLRO-NBGILSABSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H30O8 |
| Molecular Weight | 350.40 g/mol |
| Exact Mass | 350.19406791 g/mol |
| Topological Polar Surface Area (TPSA) | 140.00 Ų |
| XlogP | -1.20 |
| There are no found synonyms. |
![2D Structure of (2S,3R,4S,5S,6R)-2-[(3S,6S)-2,6-dihydroxy-2,6-dimethyloct-7-en-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/38eec960-85bd-11ee-a423-91a9e6915eff.jpg "2D Structure of (2S,3R,4S,5S,6R)-2-[(3S,6S)-2,6-dihydroxy-2,6-dimethyloct-7-en-3-yl]oxy-6-(hydroxymethyl)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 |
|---|---|---|---|---|
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.39% | 94.73% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.14% | 97.25% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 91.83% | 96.47% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.50% | 96.09% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 90.97% | 97.47% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.83% | 91.11% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 90.23% | 96.61% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 89.61% | 83.82% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.77% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.44% | 98.95% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 85.70% | 98.75% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 83.35% | 93.18% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 82.87% | 90.93% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.84% | 95.89% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 81.98% | 85.94% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 81.72% | 97.36% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.48% | 97.09% |
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.
| Cunila spicata |
| PubChem | 38352003 |
| LOTUS | LTS0249367 |
| wikiData | Q105143930 |