(4S)-2-[[(2R,3S,5R)-5-(2,6-dimethylhepta-1,5-dienyl)-3-hydroxy-3-methyloxolan-2-yl]methyl]-3,4-dihydroxycyclohex-2-en-1-one
| Internal ID | fa052880-fdda-4659-9220-d2086683dc3d |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > C-glycosyl compounds |
| IUPAC Name | (4S)-2-[[(2R,3S,5R)-5-(2,6-dimethylhepta-1,5-dienyl)-3-hydroxy-3-methyloxolan-2-yl]methyl]-3,4-dihydroxycyclohex-2-en-1-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H32O5/c1-13(2)6-5-7-14(3)10-15-12-21(4,25)19(26-15)11-16-17(22)8-9-18(23)20(16)24/h6,10,15,18-19,23-25H,5,7-9,11-12H2,1-4H3/t15-,18-,19+,21-/m0/s1 |
| InChI Key | AGIQMOPLGHERJR-RMYQPGKMSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C21H32O5 |
| Molecular Weight | 364.50 g/mol |
| Exact Mass | 364.22497412 g/mol |
| Topological Polar Surface Area (TPSA) | 87.00 Ų |
| XlogP | 2.40 |
| There are no found synonyms. |
![2D Structure of (4S)-2-[[(2R,3S,5R)-5-(2,6-dimethylhepta-1,5-dienyl)-3-hydroxy-3-methyloxolan-2-yl]methyl]-3,4-dihydroxycyclohex-2-en-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/e26a8020-8652-11ee-92d5-07c51e9c034e.jpg "2D Structure of (4S)-2-[[(2R,3S,5R)-5-(2,6-dimethylhepta-1,5-dienyl)-3-hydroxy-3-methyloxolan-2-yl]methyl]-3,4-dihydroxycyclohex-2-en-1-one")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.80% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.24% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.38% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.31% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.41% | 85.14% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.34% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.89% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.51% | 95.89% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 85.18% | 91.24% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.51% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.07% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.75% | 86.33% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 82.52% | 98.59% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.15% | 97.25% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.76% | 94.33% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.61% | 95.89% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.47% | 90.17% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 80.39% | 95.93% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 80.13% | 95.62% |
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.
| There are no matching plants. |
| PubChem | 162924395 |
| LOTUS | LTS0203116 |
| wikiData | Q104911795 |