(4,11,11-Trimethyl-8-methylidene-2-bicyclo[7.2.0]undec-4-enyl) benzoate
| Internal ID | b1ac0bdf-3860-464d-90a3-10b4e247fad8 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | (4,11,11-trimethyl-8-methylidene-2-bicyclo[7.2.0]undec-4-enyl) benzoate |
| SMILES (Canonical) | CC1=CCCC(=C)C2CC(C2C(C1)OC(=O)C3=CC=CC=C3)(C)C |
| SMILES (Isomeric) | CC1=CCCC(=C)C2CC(C2C(C1)OC(=O)C3=CC=CC=C3)(C)C |
| InChI | InChI=1S/C22H28O2/c1-15-9-8-10-16(2)18-14-22(3,4)20(18)19(13-15)24-21(23)17-11-6-5-7-12-17/h5-7,9,11-12,18-20H,2,8,10,13-14H2,1,3-4H3 |
| InChI Key | HOXHUCSLLFMLTP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H28O2 |
| Molecular Weight | 324.50 g/mol |
| Exact Mass | 324.208930132 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 5.50 |
| There are no found synonyms. |
![2D Structure of (4,11,11-Trimethyl-8-methylidene-2-bicyclo[7.2.0]undec-4-enyl) benzoate](https://plantaedb.com/storage/docs/compounds/2023/11/41111-trimethyl-8-methylidene-2-bicyclo720undec-4-enyl-benzoate.jpg "2D Structure of (4,11,11-Trimethyl-8-methylidene-2-bicyclo[7.2.0]undec-4-enyl) benzoate")
| 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 |
|---|---|---|---|---|
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 94.72% | 90.17% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 93.62% | 94.08% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.31% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.83% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.78% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.19% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.74% | 91.11% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 90.29% | 94.62% |
| CHEMBL5028 | O14672 | ADAM10 | 86.13% | 97.50% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.62% | 95.50% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 84.38% | 94.23% |
| CHEMBL211 | P08172 | Muscarinic acetylcholine receptor M2 | 82.89% | 94.97% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 82.76% | 83.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.69% | 98.75% |
| CHEMBL245 | P20309 | Muscarinic acetylcholine receptor M3 | 82.66% | 97.53% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.28% | 90.00% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 82.25% | 97.33% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 82.04% | 91.49% |
| CHEMBL4267 | P37173 | TGF-beta receptor type II | 81.72% | 88.18% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.35% | 99.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.71% | 95.89% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.00% | 91.19% |
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 nemoralis |
| PubChem | 162993882 |
| LOTUS | LTS0044911 |
| wikiData | Q105031577 |