[(1R,3R,5E,10S)-10-hydroxy-6,10-dimethyl-4,9-dioxo-3-propan-2-ylcyclodec-5-en-1-yl] (2S,3R)-2,3-dimethyloxirane-2-carboxylate
| Internal ID | 68b6ac20-c104-4ff5-bd83-08712b53a3af |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Germacrane sesquiterpenoids |
| IUPAC Name | [(1R,3R,5E,10S)-10-hydroxy-6,10-dimethyl-4,9-dioxo-3-propan-2-ylcyclodec-5-en-1-yl] (2S,3R)-2,3-dimethyloxirane-2-carboxylate |
| SMILES (Canonical) | CC1C(O1)(C)C(=O)OC2CC(C(=O)C=C(CCC(=O)C2(C)O)C)C(C)C |
| SMILES (Isomeric) | C[C@@H]1[C@@](O1)(C)C(=O)O[C@@H]2C[C@@H](C(=O)/C=C(/CCC(=O)[C@@]2(C)O)\C)C(C)C |
| InChI | InChI=1S/C20H30O6/c1-11(2)14-10-17(25-18(23)20(6)13(4)26-20)19(5,24)16(22)8-7-12(3)9-15(14)21/h9,11,13-14,17,24H,7-8,10H2,1-6H3/b12-9+/t13-,14-,17-,19-,20+/m1/s1 |
| InChI Key | XTTHQGPLWSYZEC-SLCFGJLVSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H30O6 |
| Molecular Weight | 366.40 g/mol |
| Exact Mass | 366.20423867 g/mol |
| Topological Polar Surface Area (TPSA) | 93.20 Ų |
| XlogP | 1.80 |
| There are no found synonyms. |
![2D Structure of [(1R,3R,5E,10S)-10-hydroxy-6,10-dimethyl-4,9-dioxo-3-propan-2-ylcyclodec-5-en-1-yl] (2S,3R)-2,3-dimethyloxirane-2-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/cdee6e80-81c2-11ee-b3c0-f3f01cb4777a.jpg "2D Structure of [(1R,3R,5E,10S)-10-hydroxy-6,10-dimethyl-4,9-dioxo-3-propan-2-ylcyclodec-5-en-1-yl] (2S,3R)-2,3-dimethyloxirane-2-carboxylate")
| 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 |
|---|---|---|---|---|
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 96.20% | 89.63% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.11% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.87% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.50% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.51% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.03% | 97.25% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.87% | 99.23% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.45% | 96.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.12% | 91.19% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 85.10% | 96.38% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.78% | 93.56% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.76% | 91.07% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.58% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.78% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.48% | 97.09% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 83.12% | 91.24% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.76% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.76% | 95.89% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.72% | 93.03% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.65% | 92.94% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.24% | 90.71% |
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.
| Blumea balsamifera |
| PubChem | 163082386 |
| LOTUS | LTS0219706 |
| wikiData | Q105341917 |