[4,5-Dihydroxy-6-methyl-2-[2-[4-methyl-3-oxo-4-(4-oxopentyl)cyclohexyl]propan-2-yloxy]oxan-3-yl] acetate
| Internal ID | 544003b9-bc6b-48b0-bdf8-e02b3cd9d516 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > O-glycosyl compounds |
| IUPAC Name | [4,5-dihydroxy-6-methyl-2-[2-[4-methyl-3-oxo-4-(4-oxopentyl)cyclohexyl]propan-2-yloxy]oxan-3-yl] acetate |
| SMILES (Canonical) | CC1C(C(C(C(O1)OC(C)(C)C2CCC(C(=O)C2)(C)CCCC(=O)C)OC(=O)C)O)O |
| SMILES (Isomeric) | CC1C(C(C(C(O1)OC(C)(C)C2CCC(C(=O)C2)(C)CCCC(=O)C)OC(=O)C)O)O |
| InChI | InChI=1S/C23H38O8/c1-13(24)8-7-10-23(6)11-9-16(12-17(23)26)22(4,5)31-21-20(30-15(3)25)19(28)18(27)14(2)29-21/h14,16,18-21,27-28H,7-12H2,1-6H3 |
| InChI Key | SOAOBNOFEDCAOU-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H38O8 |
| Molecular Weight | 442.50 g/mol |
| Exact Mass | 442.25666817 g/mol |
| Topological Polar Surface Area (TPSA) | 119.00 Ų |
| XlogP | 0.80 |
| There are no found synonyms. |
![2D Structure of [4,5-Dihydroxy-6-methyl-2-[2-[4-methyl-3-oxo-4-(4-oxopentyl)cyclohexyl]propan-2-yloxy]oxan-3-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/63820e60-856f-11ee-84ca-2de3f42579b5.jpg "2D Structure of [4,5-Dihydroxy-6-methyl-2-[2-[4-methyl-3-oxo-4-(4-oxopentyl)cyclohexyl]propan-2-yloxy]oxan-3-yl] acetate")
| 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 | 98.91% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.25% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.41% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.22% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.33% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.11% | 99.17% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.72% | 92.94% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.59% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.28% | 89.00% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 83.01% | 93.04% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 82.71% | 92.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.59% | 97.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.49% | 94.73% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.14% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.98% | 95.56% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.79% | 100.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 81.46% | 97.79% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 80.98% | 96.77% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.53% | 95.89% |
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.
| Plectranthus lanuginosus |
| Plectranthus punctatus subsp. edulis |
| PubChem | 85162843 |
| LOTUS | LTS0260113 |
| wikiData | Q104921380 |