3-Hydroxy-5-[8-(hydroxymethyl)-1-methyl-7-methylidene-4-propan-2-yl-6-bicyclo[3.2.1]octanyl]oxolan-2-one
| Internal ID | f4cf1e14-cdcb-41eb-a3a0-ae73dc84faab |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
| IUPAC Name | 3-hydroxy-5-[8-(hydroxymethyl)-1-methyl-7-methylidene-4-propan-2-yl-6-bicyclo[3.2.1]octanyl]oxolan-2-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C18H28O4/c1-9(2)11-5-6-18(4)10(3)15(16(11)12(18)8-19)14-7-13(20)17(21)22-14/h9,11-16,19-20H,3,5-8H2,1-2,4H3 |
| InChI Key | PTGFDIFCKGMAJK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H28O4 |
| Molecular Weight | 308.40 g/mol |
| Exact Mass | 308.19875937 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 2.90 |
| There are no found synonyms. |
![2D Structure of 3-Hydroxy-5-[8-(hydroxymethyl)-1-methyl-7-methylidene-4-propan-2-yl-6-bicyclo[3.2.1]octanyl]oxolan-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/ad92faa0-8561-11ee-93aa-f58771db0b62.jpg "2D Structure of 3-Hydroxy-5-[8-(hydroxymethyl)-1-methyl-7-methylidene-4-propan-2-yl-6-bicyclo[3.2.1]octanyl]oxolan-2-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 |
|---|---|---|---|---|
| CHEMBL4072 | P07858 | Cathepsin B | 95.97% | 93.67% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.94% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.33% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.03% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.09% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.87% | 91.11% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.98% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.39% | 95.89% |
| CHEMBL204 | P00734 | Thrombin | 83.55% | 96.01% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.82% | 91.19% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.67% | 95.56% |
| CHEMBL2842 | P42345 | Serine/threonine-protein kinase mTOR | 81.40% | 92.78% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.14% | 96.47% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 80.70% | 98.03% |
| CHEMBL1871 | P10275 | Androgen Receptor | 80.30% | 96.43% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.12% | 89.00% |
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 | 85086875 |
| LOTUS | LTS0075398 |
| wikiData | Q104195408 |