methyl 3-(1-methyl-6-propan-2-yl-2-prop-1-en-2-yl-3,4,7,8-tetrahydro-2H-naphthalen-1-yl)propanoate
| Internal ID | 070e5c26-bce7-4080-8d6f-c349a1f0d9a4 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acid esters |
| IUPAC Name | methyl 3-(1-methyl-6-propan-2-yl-2-prop-1-en-2-yl-3,4,7,8-tetrahydro-2H-naphthalen-1-yl)propanoate |
| SMILES (Canonical) | CC(C)C1=CC2=C(CC1)C(C(CC2)C(=C)C)(C)CCC(=O)OC |
| SMILES (Isomeric) | CC(C)C1=CC2=C(CC1)C(C(CC2)C(=C)C)(C)CCC(=O)OC |
| InChI | InChI=1S/C21H32O2/c1-14(2)16-7-10-19-17(13-16)8-9-18(15(3)4)21(19,5)12-11-20(22)23-6/h13-14,18H,3,7-12H2,1-2,4-6H3 |
| InChI Key | WTLNMWWJIYHSCH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H32O2 |
| Molecular Weight | 316.50 g/mol |
| Exact Mass | 316.240230259 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 4.80 |
| 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 | 99.52% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.13% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 97.64% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.78% | 98.95% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 91.28% | 91.19% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 87.84% | 94.33% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 87.57% | 91.07% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.34% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.80% | 97.09% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.02% | 100.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.89% | 95.89% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.68% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.48% | 99.17% |
| CHEMBL211 | P08172 | Muscarinic acetylcholine receptor M2 | 82.34% | 94.97% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.53% | 92.62% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.13% | 93.56% |
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.
| Callicarpa pilosissima |
| PubChem | 56671114 |
| LOTUS | LTS0219496 |
| wikiData | Q105312637 |