(2R,4R,5R,8R)-2-[(Z)-1-chlorohex-3-en-5-ynyl]-8-ethyl-3,4,5,8-tetrahydro-2H-oxocine-4,5-diol
| Internal ID | 221e8338-b750-43ea-9d1f-92ce5069dbc5 |
| Taxonomy | Organoheterocyclic compounds > Oxocins |
| IUPAC Name | (2R,4R,5R,8R)-2-[(Z)-1-chlorohex-3-en-5-ynyl]-8-ethyl-3,4,5,8-tetrahydro-2H-oxocine-4,5-diol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C15H21ClO3/c1-3-5-6-7-12(16)15-10-14(18)13(17)9-8-11(4-2)19-15/h1,5-6,8-9,11-15,17-18H,4,7,10H2,2H3/b6-5-,9-8?/t11-,12?,13-,14-,15-/m1/s1 |
| InChI Key | BZXLYBRSHROSLS-OLAYAQAXSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H21ClO3 |
| Molecular Weight | 284.78 g/mol |
| Exact Mass | 284.1179222 g/mol |
| Topological Polar Surface Area (TPSA) | 49.70 Ų |
| XlogP | 2.30 |
| There are no found synonyms. |
![2D Structure of (2R,4R,5R,8R)-2-[(Z)-1-chlorohex-3-en-5-ynyl]-8-ethyl-3,4,5,8-tetrahydro-2H-oxocine-4,5-diol](https://plantaedb.com/storage/docs/compounds/2023/11/2r4r5r8r-2-z-1-chlorohex-3-en-5-ynyl-8-ethyl-3458-tetrahydro-2h-oxocine-45-diol.jpg "2D Structure of (2R,4R,5R,8R)-2-[(Z)-1-chlorohex-3-en-5-ynyl]-8-ethyl-3,4,5,8-tetrahydro-2H-oxocine-4,5-diol")
| 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 | 95.68% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.03% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.79% | 94.73% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 91.91% | 95.93% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.46% | 90.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.25% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.24% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.58% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.69% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.35% | 86.33% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 85.08% | 91.49% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.54% | 97.21% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.53% | 95.50% |
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.
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| There are no matching plants. |
| PubChem | 162801097 |
| LOTUS | LTS0101839 |
| wikiData | Q104950728 |