2-[2-[[7-(2-Hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-yl]oxy]-5-prop-2-enylphenyl]-4-prop-2-enylphenol
| Internal ID | 7c348dca-8602-4afd-9232-6b38bf6eb4ce |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids |
| IUPAC Name | 2-[2-[[7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-yl]oxy]-5-prop-2-enylphenyl]-4-prop-2-enylphenol |
| SMILES (Canonical) | CC12CCCC(C1CC(CC2)C(C)(C)O)(C)OC3=C(C=C(C=C3)CC=C)C4=C(C=CC(=C4)CC=C)O |
| SMILES (Isomeric) | CC12CCCC(C1CC(CC2)C(C)(C)O)(C)OC3=C(C=C(C=C3)CC=C)C4=C(C=CC(=C4)CC=C)O |
| InChI | InChI=1S/C33H44O3/c1-7-10-23-12-14-28(34)26(20-23)27-21-24(11-8-2)13-15-29(27)36-33(6)18-9-17-32(5)19-16-25(22-30(32)33)31(3,4)35/h7-8,12-15,20-21,25,30,34-35H,1-2,9-11,16-19,22H2,3-6H3 |
| InChI Key | BGHDGRAJSUCRAP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C33H44O3 |
| Molecular Weight | 488.70 g/mol |
| Exact Mass | 488.32904526 g/mol |
| Topological Polar Surface Area (TPSA) | 49.70 Ų |
| XlogP | 8.70 |
| There are no found synonyms. |
![2D Structure of 2-[2-[[7-(2-Hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-yl]oxy]-5-prop-2-enylphenyl]-4-prop-2-enylphenol](https://plantaedb.com/storage/docs/compounds/2023/11/072e7de0-8618-11ee-8208-7f7072821f48.jpg "2D Structure of 2-[2-[[7-(2-Hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-yl]oxy]-5-prop-2-enylphenyl]-4-prop-2-enylphenol")
| 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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.64% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.14% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.88% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.74% | 97.25% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 93.80% | 95.89% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.66% | 96.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 93.34% | 94.75% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 92.72% | 97.31% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.85% | 86.33% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.53% | 92.94% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.53% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.04% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.65% | 95.56% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 85.57% | 89.62% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 84.33% | 97.79% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.56% | 94.45% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 82.53% | 97.33% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 82.04% | 95.12% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 82.02% | 91.03% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 81.88% | 97.05% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 81.88% | 95.58% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.83% | 92.62% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.28% | 94.00% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 80.98% | 96.38% |
| CHEMBL3975 | P09467 | Fructose-1,6-bisphosphatase | 80.72% | 92.95% |
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.
| Magnolia obovata |
| PubChem | 14587416 |
| LOTUS | LTS0237349 |
| wikiData | Q104935542 |