3-[(3E,7E)-10-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-4,8-dimethyldeca-3,7-dienyl]-2H-furan-5-one
| Internal ID | e188b040-2ce8-42bc-b6d7-c8956a6f6f1d |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Diterpene lactones |
| IUPAC Name | 3-[(3E,7E)-10-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-4,8-dimethyldeca-3,7-dienyl]-2H-furan-5-one |
| SMILES (Canonical) | CC(=CCCC1=CC(=O)OC1)CCC=C(C)CCC2C(=C)CCCC2(C)C |
| SMILES (Isomeric) | C/C(=C\CCC1=CC(=O)OC1)/CC/C=C(\C)/CC[C@@H]2C(=C)CCCC2(C)C |
| InChI | InChI=1S/C25H38O2/c1-19(11-7-13-22-17-24(26)27-18-22)9-6-10-20(2)14-15-23-21(3)12-8-16-25(23,4)5/h10-11,17,23H,3,6-9,12-16,18H2,1-2,4-5H3/b19-11+,20-10+/t23-/m1/s1 |
| InChI Key | WHYDZULPKRRAKT-HFVPNPRRSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H38O2 |
| Molecular Weight | 370.60 g/mol |
| Exact Mass | 370.287180451 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 7.10 |
| There are no found synonyms. |
![2D Structure of 3-[(3E,7E)-10-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-4,8-dimethyldeca-3,7-dienyl]-2H-furan-5-one](https://plantaedb.com/storage/docs/compounds/2023/11/6de1a630-859a-11ee-b3d3-e71032cd5281.jpg "2D Structure of 3-[(3E,7E)-10-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-4,8-dimethyldeca-3,7-dienyl]-2H-furan-5-one")
| 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 | 99.20% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.82% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.58% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.27% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.97% | 86.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.90% | 100.00% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 88.00% | 92.51% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.07% | 94.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.28% | 89.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 85.64% | 83.82% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.35% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.14% | 96.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 84.38% | 82.69% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.57% | 94.73% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 83.01% | 98.59% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.00% | 99.23% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.68% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.09% | 97.09% |
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.
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| There are no matching plants. |
| PubChem | 10248615 |
| LOTUS | LTS0025644 |
| wikiData | Q105306076 |