(1R,2R,7S,8R,11S)-11-(hydroxymethyl)-2,7-dimethyl-4-oxo-5,14-dioxatetracyclo[9.7.0.02,8.012,16]octadeca-12,15-diene-7-carboxylic acid
| Internal ID | c92436f3-8b8a-4364-b680-0f4255d3fb84 |
| Taxonomy | Organoheterocyclic compounds > Lactones |
| IUPAC Name | (1R,2R,7S,8R,11S)-11-(hydroxymethyl)-2,7-dimethyl-4-oxo-5,14-dioxatetracyclo[9.7.0.02,8.012,16]octadeca-12,15-diene-7-carboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H26O6/c1-18-7-16(22)26-11-19(2,17(23)24)14(18)5-6-20(10-21)13-9-25-8-12(13)3-4-15(18)20/h8-9,14-15,21H,3-7,10-11H2,1-2H3,(H,23,24)/t14-,15-,18+,19-,20-/m1/s1 |
| InChI Key | ZULROTFSZUEJTM-LXWRTIBQSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H26O6 |
| Molecular Weight | 362.40 g/mol |
| Exact Mass | 362.17293854 g/mol |
| Topological Polar Surface Area (TPSA) | 97.00 Ų |
| XlogP | 2.30 |
| There are no found synonyms. |
![2D Structure of (1R,2R,7S,8R,11S)-11-(hydroxymethyl)-2,7-dimethyl-4-oxo-5,14-dioxatetracyclo[9.7.0.02,8.012,16]octadeca-12,15-diene-7-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/5ec870c0-83fb-11ee-ad86-29fa15b18c1d.jpg "2D Structure of (1R,2R,7S,8R,11S)-11-(hydroxymethyl)-2,7-dimethyl-4-oxo-5,14-dioxatetracyclo[9.7.0.02,8.012,16]octadeca-12,15-diene-7-carboxylic acid")
| 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.17% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.61% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.69% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.58% | 95.56% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 88.64% | 93.04% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.98% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.16% | 99.23% |
| CHEMBL5028 | O14672 | ADAM10 | 82.73% | 97.50% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 82.23% | 80.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.01% | 98.95% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 82.01% | 96.77% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.39% | 91.07% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.59% | 97.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.46% | 90.17% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.18% | 97.25% |
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 | 118708023 |
| LOTUS | LTS0083196 |
| wikiData | Q105383786 |