trans-(3R,4R)-4-(chloromethyl)-3,4-dihydroxy-2-methoxy-3-[(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]cyclohexan-1-one
| Internal ID | abc72bbf-f6e0-4c4f-b848-7dd6e9153eaa |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Cyclitols and derivatives |
| IUPAC Name | trans-(3R,4R)-4-(chloromethyl)-3,4-dihydroxy-2-methoxy-3-[(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]cyclohexan-1-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C16H25ClO5/c1-10(2)5-6-12-14(3,22-12)16(20)13(21-4)11(18)7-8-15(16,19)9-17/h5,12-13,19-20H,6-9H2,1-4H3/t12-,13?,14+,15+,16+/m1/s1 |
| InChI Key | NZVBMSJIHBRYNA-NNFXCFJSSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H25ClO5 |
| Molecular Weight | 332.80 g/mol |
| Exact Mass | 332.1390516 g/mol |
| Topological Polar Surface Area (TPSA) | 79.30 Ų |
| XlogP | 0.90 |
| There are no found synonyms. |
![2D Structure of trans-(3R,4R)-4-(chloromethyl)-3,4-dihydroxy-2-methoxy-3-[(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]cyclohexan-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/d8070800-861c-11ee-a1da-e5d92387b72f.jpg "2D Structure of trans-(3R,4R)-4-(chloromethyl)-3,4-dihydroxy-2-methoxy-3-[(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]cyclohexan-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 | 98.51% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.87% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.86% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.29% | 86.33% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.24% | 97.25% |
| CHEMBL5957 | P21589 | 5'-nucleotidase | 89.20% | 97.78% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.76% | 95.56% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.05% | 92.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.65% | 98.95% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.61% | 94.75% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.37% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.12% | 95.89% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 83.06% | 97.28% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.86% | 91.07% |
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 | 163191173 |
| LOTUS | LTS0070278 |
| wikiData | Q105188464 |