1-(9,11-Dihydroxy-6,10-dimethyl-2-methylidene-12-oxatricyclo[7.2.1.01,6]dodecan-10-yl)-4-methylpentan-3-one
| Internal ID | 9f605628-e5e8-4141-8ff3-ff3837303efd |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Monosaccharides |
| IUPAC Name | 1-(9,11-dihydroxy-6,10-dimethyl-2-methylidene-12-oxatricyclo[7.2.1.01,6]dodecan-10-yl)-4-methylpentan-3-one |
| SMILES (Canonical) | CC(C)C(=O)CCC1(C(C23C(=C)CCCC2(CCC1(O3)O)C)O)C |
| SMILES (Isomeric) | CC(C)C(=O)CCC1(C(C23C(=C)CCCC2(CCC1(O3)O)C)O)C |
| InChI | InChI=1S/C20H32O4/c1-13(2)15(21)8-10-18(5)16(22)20-14(3)7-6-9-17(20,4)11-12-19(18,23)24-20/h13,16,22-23H,3,6-12H2,1-2,4-5H3 |
| InChI Key | AEGACTCEKVOUDB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H32O4 |
| Molecular Weight | 336.50 g/mol |
| Exact Mass | 336.23005950 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 2.40 |
| There are no found synonyms. |
![2D Structure of 1-(9,11-Dihydroxy-6,10-dimethyl-2-methylidene-12-oxatricyclo[7.2.1.01,6]dodecan-10-yl)-4-methylpentan-3-one](https://plantaedb.com/storage/docs/compounds/2023/11/7fb4a710-848f-11ee-a656-d31bfaa09dca.jpg "2D Structure of 1-(9,11-Dihydroxy-6,10-dimethyl-2-methylidene-12-oxatricyclo[7.2.1.01,6]dodecan-10-yl)-4-methylpentan-3-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.88% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.50% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.08% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.38% | 98.95% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.94% | 92.62% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.58% | 94.45% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.30% | 90.71% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 85.26% | 82.50% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 84.33% | 96.61% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.64% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.01% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.77% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.22% | 91.19% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.35% | 96.77% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.10% | 96.47% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.74% | 95.50% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.37% | 95.50% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 80.34% | 96.38% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.14% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.04% | 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 | 73837570 |
| LOTUS | LTS0093404 |
| wikiData | Q105094825 |