[(1R,2S,4Z,8E,10S)-4,8,11,11-tetramethyl-2-bicyclo[8.1.0]undeca-4,8-dienyl] 4-methoxybenzoate
| Internal ID | aabdcec0-d7c1-484d-b1e7-77efc1305df0 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Bicyclogermacrane and isolepidozane sesquiterpenoids |
| IUPAC Name | [(1R,2S,4Z,8E,10S)-4,8,11,11-tetramethyl-2-bicyclo[8.1.0]undeca-4,8-dienyl] 4-methoxybenzoate |
| SMILES (Canonical) | CC1=CC2C(C2(C)C)C(CC(=CCC1)C)OC(=O)C3=CC=C(C=C3)OC |
| SMILES (Isomeric) | C/C/1=C\[C@H]2[C@H](C2(C)C)[C@H](C/C(=C\CC1)/C)OC(=O)C3=CC=C(C=C3)OC |
| InChI | InChI=1S/C23H30O3/c1-15-7-6-8-16(2)14-20(21-19(13-15)23(21,3)4)26-22(24)17-9-11-18(25-5)12-10-17/h8-13,19-21H,6-7,14H2,1-5H3/b15-13+,16-8-/t19-,20-,21-/m0/s1 |
| InChI Key | PSEUVXLMKIAASF-WCYFENBPSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H30O3 |
| Molecular Weight | 354.50 g/mol |
| Exact Mass | 354.21949481 g/mol |
| Topological Polar Surface Area (TPSA) | 35.50 Ų |
| XlogP | 5.20 |
| There are no found synonyms. |
![2D Structure of [(1R,2S,4Z,8E,10S)-4,8,11,11-tetramethyl-2-bicyclo[8.1.0]undeca-4,8-dienyl] 4-methoxybenzoate](https://plantaedb.com/storage/docs/compounds/2023/11/1r2s4z8e10s-481111-tetramethyl-2-bicyclo810undeca-48-dienyl-4-methoxybenzoate.jpg "2D Structure of [(1R,2S,4Z,8E,10S)-4,8,11,11-tetramethyl-2-bicyclo[8.1.0]undeca-4,8-dienyl] 4-methoxybenzoate")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.28% | 96.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 95.46% | 90.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.32% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.01% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.64% | 95.56% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 91.44% | 93.99% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.25% | 90.17% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.23% | 91.19% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.06% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.33% | 98.95% |
| CHEMBL211 | P08172 | Muscarinic acetylcholine receptor M2 | 86.71% | 94.97% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.88% | 92.94% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.60% | 97.09% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 83.36% | 90.24% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 83.26% | 91.49% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 82.68% | 94.08% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.40% | 98.75% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.25% | 99.17% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.50% | 91.07% |
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.
| Parthenium argentatum |
| PubChem | 163105564 |
| LOTUS | LTS0179253 |
| wikiData | Q105214143 |