Eujavanicol C
| Internal ID | 415d74b2-e133-4d9e-8006-87eb7db0930b |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Cyclic ketones > Cyclohexenones |
| IUPAC Name | (4R,4aS,5R,7R,8S,8aR)-3-[(2R)-butan-2-yl]-7,8-dihydroxy-4-(3-hydroxypropanoyl)-4,5-dimethyl-4a,5,6,7,8,8a-hexahydronaphthalen-1-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C19H30O5/c1-5-10(2)12-9-13(21)16-17(11(3)8-14(22)18(16)24)19(12,4)15(23)6-7-20/h9-11,14,16-18,20,22,24H,5-8H2,1-4H3/t10-,11-,14-,16-,17+,18-,19-/m1/s1 |
| InChI Key | IKHHODUJTQSREF-JPSZPDDFSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C19H30O5 |
| Molecular Weight | 338.40 g/mol |
| Exact Mass | 338.20932405 g/mol |
| Topological Polar Surface Area (TPSA) | 94.80 Ų |
| XlogP | 0.70 |
| CHEMBL250244 |
| (4R,4aS,5R,7R,8S,8aR)-3-[(2R)-butan-2-yl]-7,8-dihydroxy-4-(3-hydroxypropanoyl)-4,5-dimethyl-4a,5,6,7,8,8a-hexahydronaphthalen-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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.13% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.91% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.29% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.00% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.41% | 97.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.55% | 90.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.49% | 95.56% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.08% | 93.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.22% | 94.45% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.73% | 90.71% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 83.83% | 95.93% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 83.56% | 96.77% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 82.86% | 95.71% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.80% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.15% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.07% | 85.14% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 82.04% | 98.75% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.92% | 96.90% |
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 | 23643943 |
| LOTUS | LTS0080578 |
| wikiData | Q77385326 |