2-(Hydroxymethyl)-6-(3-hydroxy-3,7,11-trimethyldodeca-1,6,10-trien-5-yl)oxyoxane-3,4,5-triol
| Internal ID | 02cb7ea0-6d62-4c0e-9070-9af8f23de373 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides |
| IUPAC Name | 2-(hydroxymethyl)-6-(3-hydroxy-3,7,11-trimethyldodeca-1,6,10-trien-5-yl)oxyoxane-3,4,5-triol |
| SMILES (Canonical) | CC(=CCCC(=CC(CC(C)(C=C)O)OC1C(C(C(C(O1)CO)O)O)O)C)C |
| SMILES (Isomeric) | CC(=CCCC(=CC(CC(C)(C=C)O)OC1C(C(C(C(O1)CO)O)O)O)C)C |
| InChI | InChI=1S/C21H36O7/c1-6-21(5,26)11-15(10-14(4)9-7-8-13(2)3)27-20-19(25)18(24)17(23)16(12-22)28-20/h6,8,10,15-20,22-26H,1,7,9,11-12H2,2-5H3 |
| InChI Key | DBRKOXMXUVNKPH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H36O7 |
| Molecular Weight | 400.50 g/mol |
| Exact Mass | 400.24610348 g/mol |
| Topological Polar Surface Area (TPSA) | 120.00 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 |
|---|---|---|---|---|
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.67% | 94.73% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.62% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.01% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.89% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.91% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.39% | 96.09% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 88.34% | 92.68% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 87.39% | 97.36% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 84.88% | 97.47% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 83.77% | 90.93% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 82.61% | 96.47% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.54% | 95.89% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 82.34% | 97.21% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 82.01% | 82.50% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.39% | 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.
| Amaranthus retroflexus |
| PubChem | 72986386 |
| LOTUS | LTS0229834 |
| wikiData | Q104974736 |