2-hydroxy-3-[2-(1-hydroxy-2,5,5,8a-tetramethyl-4-oxo-4a,6,7,8-tetrahydronaphthalen-1-yl)ethyl]-2H-furan-5-one
| Internal ID | 89326290-6ccb-48f5-95da-846038c5b564 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Diterpene lactones |
| IUPAC Name | 2-hydroxy-3-[2-(1-hydroxy-2,5,5,8a-tetramethyl-4-oxo-4a,6,7,8-tetrahydronaphthalen-1-yl)ethyl]-2H-furan-5-one |
| SMILES (Canonical) | CC1=CC(=O)C2C(CCCC2(C1(CCC3=CC(=O)OC3O)O)C)(C)C |
| SMILES (Isomeric) | CC1=CC(=O)C2C(CCCC2(C1(CCC3=CC(=O)OC3O)O)C)(C)C |
| InChI | InChI=1S/C20H28O5/c1-12-10-14(21)16-18(2,3)7-5-8-19(16,4)20(12,24)9-6-13-11-15(22)25-17(13)23/h10-11,16-17,23-24H,5-9H2,1-4H3 |
| InChI Key | SWRUTHSBWJVLGR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H28O5 |
| Molecular Weight | 348.40 g/mol |
| Exact Mass | 348.19367399 g/mol |
| Topological Polar Surface Area (TPSA) | 83.80 Ų |
| XlogP | 1.90 |
| There are no found synonyms. |
![2D Structure of 2-hydroxy-3-[2-(1-hydroxy-2,5,5,8a-tetramethyl-4-oxo-4a,6,7,8-tetrahydronaphthalen-1-yl)ethyl]-2H-furan-5-one](https://plantaedb.com/storage/docs/compounds/2023/11/5ce3a6b0-81e4-11ee-9033-9548e13f3034.jpg "2D Structure of 2-hydroxy-3-[2-(1-hydroxy-2,5,5,8a-tetramethyl-4-oxo-4a,6,7,8-tetrahydronaphthalen-1-yl)ethyl]-2H-furan-5-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 | 98.71% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.88% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.71% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.86% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.50% | 95.56% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 88.93% | 86.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.48% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.43% | 85.14% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 85.31% | 89.63% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 85.19% | 95.93% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 84.55% | 96.61% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.93% | 95.89% |
| CHEMBL1871 | P10275 | Androgen Receptor | 83.62% | 96.43% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.96% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.01% | 99.23% |
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.
| Solidago canadensis |
| PubChem | 74317234 |
| LOTUS | LTS0117617 |
| wikiData | Q105262844 |