2-[4-[[7-(2-Hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-yl]oxy]-3-prop-2-enylphenyl]-4-prop-2-enylphenol
| Internal ID | ccb24600-d77b-4ce0-9087-27d10b54b3a9 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids |
| IUPAC Name | 2-[4-[[7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-yl]oxy]-3-prop-2-enylphenyl]-4-prop-2-enylphenol |
| SMILES (Canonical) | CC12CCCC(C1CC(CC2)C(C)(C)O)(C)OC3=C(C=C(C=C3)C4=C(C=CC(=C4)CC=C)O)CC=C |
| SMILES (Isomeric) | CC12CCCC(C1CC(CC2)C(C)(C)O)(C)OC3=C(C=C(C=C3)C4=C(C=CC(=C4)CC=C)O)CC=C |
| InChI | InChI=1S/C33H44O3/c1-7-10-23-12-14-28(34)27(20-23)24-13-15-29(25(21-24)11-8-2)36-33(6)18-9-17-32(5)19-16-26(22-30(32)33)31(3,4)35/h7-8,12-15,20-21,26,30,34-35H,1-2,9-11,16-19,22H2,3-6H3 |
| InChI Key | MNZIBUQUXCOKHC-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-[4-[[7-(2-Hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-yl]oxy]-3-prop-2-enylphenyl]-4-prop-2-enylphenol](https://plantaedb.com/storage/docs/compounds/2023/11/1a814280-8611-11ee-b36f-4b6ebcf4e38e.jpg "2D Structure of 2-[4-[[7-(2-Hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-yl]oxy]-3-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.77% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.18% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.95% | 91.49% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.76% | 97.25% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 96.71% | 94.75% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 96.09% | 95.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.22% | 96.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 94.03% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.71% | 86.33% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 92.22% | 97.31% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 91.67% | 96.09% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 91.43% | 83.57% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 91.39% | 92.94% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.30% | 97.09% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 91.24% | 95.12% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.80% | 92.62% |
| CHEMBL6175 | Q9H3R0 | Lysine-specific demethylase 4C | 87.71% | 96.69% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.90% | 95.50% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.50% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.19% | 89.00% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 85.76% | 91.71% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 84.37% | 95.78% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 83.83% | 97.05% |
| CHEMBL3975 | P09467 | Fructose-1,6-bisphosphatase | 83.56% | 92.95% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 83.44% | 97.33% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 83.00% | 91.03% |
| CHEMBL4235 | P28845 | 11-beta-hydroxysteroid dehydrogenase 1 | 82.91% | 97.98% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 82.84% | 95.53% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 82.57% | 95.58% |
| CHEMBL1795185 | Q58F21 | Bromodomain testis-specific protein | 82.33% | 89.76% |
| CHEMBL3194 | P02766 | Transthyretin | 82.17% | 90.71% |
| CHEMBL264 | Q9Y5N1 | Histamine H3 receptor | 81.79% | 91.43% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.05% | 95.56% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.70% | 100.00% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 80.13% | 96.21% |
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 | 14587420 |
| LOTUS | LTS0073978 |
| wikiData | Q105168708 |