(7-Hydroxy-1,6-dimethyl-4-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-yl) 2-methylbut-2-enoate
| Internal ID | c18241bf-898f-4274-83e6-67f97fb6f160 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | (7-hydroxy-1,6-dimethyl-4-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-yl) 2-methylbut-2-enoate |
| SMILES (Canonical) | CC=C(C)C(=O)OC1CC(C2=C(C1C)C=C(C(=C2)C)O)C(C)C |
| SMILES (Isomeric) | CC=C(C)C(=O)OC1CC(C2=C(C1C)C=C(C(=C2)C)O)C(C)C |
| InChI | InChI=1S/C20H28O3/c1-7-12(4)20(22)23-19-10-15(11(2)3)17-8-13(5)18(21)9-16(17)14(19)6/h7-9,11,14-15,19,21H,10H2,1-6H3 |
| InChI Key | MLVXDCDXUKQJID-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H28O3 |
| Molecular Weight | 316.40 g/mol |
| Exact Mass | 316.20384475 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 5.20 |
| There are no found synonyms. |
| 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 | 97.87% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.94% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.45% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.56% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.90% | 89.00% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 86.36% | 90.24% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.91% | 90.71% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.25% | 93.56% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 85.08% | 97.21% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.45% | 91.19% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.83% | 99.15% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.52% | 86.33% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 81.31% | 93.65% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.97% | 91.07% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.39% | 93.40% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.08% | 95.89% |
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.
| Heterotheca subaxillaris |
| PubChem | 4355537 |
| LOTUS | LTS0077367 |
| wikiData | Q105167215 |