Methyl 2-[1-methyl-6-(3-methylbut-2-enyl)-7-methylidene-12-prop-1-en-2-yl-4-bicyclo[8.2.0]dodecanyl]prop-2-enoate
| Internal ID | a9841f99-140a-4634-a8eb-71dfd2569429 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | methyl 2-[1-methyl-6-(3-methylbut-2-enyl)-7-methylidene-12-prop-1-en-2-yl-4-bicyclo[8.2.0]dodecanyl]prop-2-enoate |
| SMILES (Canonical) | CC(=CCC1CC(CCC2(C(CCC1=C)CC2C(=C)C)C)C(=C)C(=O)OC)C |
| SMILES (Isomeric) | CC(=CCC1CC(CCC2(C(CCC1=C)CC2C(=C)C)C)C(=C)C(=O)OC)C |
| InChI | InChI=1S/C26H40O2/c1-17(2)9-11-21-15-22(20(6)25(27)28-8)13-14-26(7)23(12-10-19(21)5)16-24(26)18(3)4/h9,21-24H,3,5-6,10-16H2,1-2,4,7-8H3 |
| InChI Key | LFWPQBPYCJEDSM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H40O2 |
| Molecular Weight | 384.60 g/mol |
| Exact Mass | 384.302830514 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 8.20 |
| There are no found synonyms. |
![2D Structure of Methyl 2-[1-methyl-6-(3-methylbut-2-enyl)-7-methylidene-12-prop-1-en-2-yl-4-bicyclo[8.2.0]dodecanyl]prop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/a8ac8820-86e9-11ee-bcce-6130d320f53a.jpg "2D Structure of Methyl 2-[1-methyl-6-(3-methylbut-2-enyl)-7-methylidene-12-prop-1-en-2-yl-4-bicyclo[8.2.0]dodecanyl]prop-2-enoate")
| 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 | 98.34% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 96.86% | 90.17% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.52% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.88% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.06% | 94.45% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.34% | 91.19% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 85.82% | 94.33% |
| CHEMBL5028 | O14672 | ADAM10 | 85.44% | 97.50% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 85.12% | 91.24% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.12% | 100.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.92% | 85.14% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.14% | 92.62% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 83.82% | 95.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.41% | 97.09% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 83.19% | 98.59% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 82.98% | 97.50% |
| CHEMBL1871 | P10275 | Androgen Receptor | 82.16% | 96.43% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.02% | 82.69% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.58% | 100.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.25% | 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.
| Raoulia australis |
| PubChem | 163034760 |
| LOTUS | LTS0213781 |
| wikiData | Q105151187 |