[5'-(2-methoxy-2-oxoethyl)-1,4a,5',6-tetramethylspiro[3,4,8,8a-tetrahydro-2H-naphthalene-5,2'-oxolane]-1-yl]methyl 2-methylbutanoate
| Internal ID | 66177a19-9f3a-4309-a44e-b5d2861fb16b |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | [5'-(2-methoxy-2-oxoethyl)-1,4a,5',6-tetramethylspiro[3,4,8,8a-tetrahydro-2H-naphthalene-5,2'-oxolane]-1-yl]methyl 2-methylbutanoate |
| SMILES (Canonical) | CCC(C)C(=O)OCC1(CCCC2(C1CC=C(C23CCC(O3)(C)CC(=O)OC)C)C)C |
| SMILES (Isomeric) | CCC(C)C(=O)OCC1(CCCC2(C1CC=C(C23CCC(O3)(C)CC(=O)OC)C)C)C |
| InChI | InChI=1S/C26H42O5/c1-8-18(2)22(28)30-17-23(4)12-9-13-25(6)20(23)11-10-19(3)26(25)15-14-24(5,31-26)16-21(27)29-7/h10,18,20H,8-9,11-17H2,1-7H3 |
| InChI Key | PFTGKKLIOQUGKM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H42O5 |
| Molecular Weight | 434.60 g/mol |
| Exact Mass | 434.30322444 g/mol |
| Topological Polar Surface Area (TPSA) | 61.80 Ų |
| XlogP | 5.00 |
| There are no found synonyms. |
![2D Structure of [5'-(2-methoxy-2-oxoethyl)-1,4a,5',6-tetramethylspiro[3,4,8,8a-tetrahydro-2H-naphthalene-5,2'-oxolane]-1-yl]methyl 2-methylbutanoate](https://plantaedb.com/storage/docs/compounds/2023/11/130259b0-8541-11ee-867d-b9020cb63678.jpg "2D Structure of [5'-(2-methoxy-2-oxoethyl)-1,4a,5',6-tetramethylspiro[3,4,8,8a-tetrahydro-2H-naphthalene-5,2'-oxolane]-1-yl]methyl 2-methylbutanoate")
| 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 | 96.39% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.09% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.68% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.44% | 97.25% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 88.25% | 95.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.34% | 94.45% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 86.27% | 97.79% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.91% | 90.17% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.90% | 92.62% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.50% | 93.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.43% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.99% | 95.56% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 82.79% | 96.38% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.08% | 94.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.99% | 97.09% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.92% | 96.90% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.09% | 96.95% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.00% | 100.00% |
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.
| Grindelia hirsutula |
| PubChem | 163025579 |
| LOTUS | LTS0051961 |
| wikiData | Q105208147 |