2-[2-[(5S,6S,9S)-9-hydroxy-6-methyl-10-methylidenespiro[4.5]decan-3-yl]propan-2-yloxy]-6-methyloxane-3,4,5-triol
| Internal ID | 4390703c-4d03-4cef-9dc3-a21ec50220e3 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides |
| IUPAC Name | 2-[2-[(5S,6S,9S)-9-hydroxy-6-methyl-10-methylidenespiro[4.5]decan-3-yl]propan-2-yloxy]-6-methyloxane-3,4,5-triol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H36O6/c1-11-6-7-15(22)12(2)21(11)9-8-14(10-21)20(4,5)27-19-18(25)17(24)16(23)13(3)26-19/h11,13-19,22-25H,2,6-10H2,1,3-5H3/t11-,13?,14?,15-,16?,17?,18?,19?,21-/m0/s1 |
| InChI Key | AVQARFHINIEEIO-PBLVUODPSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C21H36O6 |
| Molecular Weight | 384.50 g/mol |
| Exact Mass | 384.25118886 g/mol |
| Topological Polar Surface Area (TPSA) | 99.40 Ų |
| XlogP | 1.30 |
| There are no found synonyms. |
![2D Structure of 2-[2-[(5S,6S,9S)-9-hydroxy-6-methyl-10-methylidenespiro[4.5]decan-3-yl]propan-2-yloxy]-6-methyloxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/f98021a0-844a-11ee-a520-176aeb5e4249.jpg "2D Structure of 2-[2-[(5S,6S,9S)-9-hydroxy-6-methyl-10-methylidenespiro[4.5]decan-3-yl]propan-2-yloxy]-6-methyloxane-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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.66% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.01% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.20% | 96.09% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 91.86% | 96.61% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 90.39% | 97.36% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.23% | 95.89% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 86.21% | 97.31% |
| CHEMBL1871 | P10275 | Androgen Receptor | 86.12% | 96.43% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.16% | 97.09% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 84.42% | 100.00% |
| CHEMBL2842 | P42345 | Serine/threonine-protein kinase mTOR | 84.20% | 92.78% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.76% | 92.94% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 82.96% | 92.68% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 82.92% | 91.49% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.48% | 97.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.40% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.36% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.05% | 86.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.05% | 100.00% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 81.79% | 95.38% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 81.18% | 95.93% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.17% | 93.04% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 80.24% | 91.03% |
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.
| Carthamus mareoticus |
| PubChem | 162852120 |
| LOTUS | LTS0074149 |
| wikiData | Q104919714 |