(1S,3Z,7E,11E,17R)-17-hydroxy-3,7,11-trimethylbicyclo[12.2.2]octadeca-3,7,11,14(18)-tetraen-15-one
| Internal ID | c1a68c61-54a9-4a58-a9de-0d58455c5962 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (1S,3Z,7E,11E,17R)-17-hydroxy-3,7,11-trimethylbicyclo[12.2.2]octadeca-3,7,11,14(18)-tetraen-15-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H30O2/c1-15-6-4-8-16(2)10-11-18-13-21(23)19(14-20(18)22)12-17(3)9-5-7-15/h6,9-10,13,19,21,23H,4-5,7-8,11-12,14H2,1-3H3/b15-6+,16-10+,17-9-/t19-,21-/m0/s1 |
| InChI Key | DFVHKIYTXPDJJK-RQXAKNGUSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H30O2 |
| Molecular Weight | 314.50 g/mol |
| Exact Mass | 314.224580195 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 Ų |
| XlogP | 3.30 |
| There are no found synonyms. |
![2D Structure of (1S,3Z,7E,11E,17R)-17-hydroxy-3,7,11-trimethylbicyclo[12.2.2]octadeca-3,7,11,14(18)-tetraen-15-one](https://plantaedb.com/storage/docs/compounds/2023/11/1s3z7e11e17r-17-hydroxy-3711-trimethylbicyclo1222octadeca-37111418-tetraen-15-one.jpg "2D Structure of (1S,3Z,7E,11E,17R)-17-hydroxy-3,7,11-trimethylbicyclo[12.2.2]octadeca-3,7,11,14(18)-tetraen-15-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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.75% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.72% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.18% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.32% | 96.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.11% | 90.71% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.51% | 100.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.30% | 97.25% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 80.06% | 86.00% |
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 | 163103819 |
| LOTUS | LTS0135118 |
| wikiData | Q104978346 |