dimethyl 5-[2-(furan-3-yl)-2-oxoethyl]-1-methyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1,4a-dicarboxylate
| Internal ID | 8f625e9d-6ba8-47df-b84f-a3ed4cd336be |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Colensane and clerodane diterpenoids |
| IUPAC Name | dimethyl 5-[2-(furan-3-yl)-2-oxoethyl]-1-methyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1,4a-dicarboxylate |
| SMILES (Canonical) | CC1(CCCC2(C1CCC(=C)C2CC(=O)C3=COC=C3)C(=O)OC)C(=O)OC |
| SMILES (Isomeric) | CC1(CCCC2(C1CCC(=C)C2CC(=O)C3=COC=C3)C(=O)OC)C(=O)OC |
| InChI | InChI=1S/C22H28O6/c1-14-6-7-18-21(2,19(24)26-3)9-5-10-22(18,20(25)27-4)16(14)12-17(23)15-8-11-28-13-15/h8,11,13,16,18H,1,5-7,9-10,12H2,2-4H3 |
| InChI Key | MWSUSYZIDMEIBT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H28O6 |
| Molecular Weight | 388.50 g/mol |
| Exact Mass | 388.18858861 g/mol |
| Topological Polar Surface Area (TPSA) | 82.80 Ų |
| XlogP | 2.90 |
| There are no found synonyms. |
![2D Structure of dimethyl 5-[2-(furan-3-yl)-2-oxoethyl]-1-methyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1,4a-dicarboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/86a4edf0-8759-11ee-b42a-65769004f855.jpg "2D Structure of dimethyl 5-[2-(furan-3-yl)-2-oxoethyl]-1-methyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1,4a-dicarboxylate")
| 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 | 95.63% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.11% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.65% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.19% | 96.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.61% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.07% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.25% | 95.56% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.41% | 91.07% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.12% | 92.62% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.45% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.34% | 98.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 81.89% | 83.82% |
| CHEMBL5028 | O14672 | ADAM10 | 81.81% | 97.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.78% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.76% | 100.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.64% | 94.00% |
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.
| Sciadopitys verticillata |
| PubChem | 162858754 |
| LOTUS | LTS0239851 |
| wikiData | Q105173762 |