4-prop-2-enyl-2-[5-prop-2-enyl-2-[[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]phenyl]phenol
| Internal ID | 90f238d5-b82d-4767-8ace-89e168308538 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Biphenyls and derivatives |
| IUPAC Name | 4-prop-2-enyl-2-[5-prop-2-enyl-2-[[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]phenyl]phenol |
| SMILES (Canonical) | CC1(C2CCC1(C(C2)OC3=C(C=C(C=C3)CC=C)C4=C(C=CC(=C4)CC=C)O)C)C |
| SMILES (Isomeric) | C[C@]12CC[C@H](C1(C)C)C[C@H]2OC3=C(C=C(C=C3)CC=C)C4=C(C=CC(=C4)CC=C)O |
| InChI | InChI=1S/C28H34O2/c1-6-8-19-10-12-24(29)22(16-19)23-17-20(9-7-2)11-13-25(23)30-26-18-21-14-15-28(26,5)27(21,3)4/h6-7,10-13,16-17,21,26,29H,1-2,8-9,14-15,18H2,3-5H3/t21-,26+,28+/m0/s1 |
| InChI Key | WDJOGJXRIXJSCD-GGPAXRDESA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H34O2 |
| Molecular Weight | 402.60 g/mol |
| Exact Mass | 402.255880323 g/mol |
| Topological Polar Surface Area (TPSA) | 29.50 Ų |
| XlogP | 8.30 |
| There are no found synonyms. |
![2D Structure of 4-prop-2-enyl-2-[5-prop-2-enyl-2-[[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]phenyl]phenol](https://plantaedb.com/storage/docs/compounds/2023/11/1312a470-8540-11ee-8d76-35c717ef4f3e.jpg "2D Structure of 4-prop-2-enyl-2-[5-prop-2-enyl-2-[[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]phenyl]phenol")
| 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% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.45% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.34% | 91.11% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 94.52% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.97% | 94.45% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 90.38% | 92.94% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.87% | 98.95% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 89.35% | 90.24% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.10% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.35% | 97.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.52% | 94.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.31% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.05% | 90.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 83.09% | 89.62% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.67% | 82.69% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 82.57% | 91.03% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 81.92% | 95.17% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 81.75% | 97.31% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.55% | 97.25% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.35% | 92.62% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 81.31% | 83.57% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.15% | 99.17% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 80.01% | 95.58% |
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 officinalis |
| PubChem | 162995849 |
| LOTUS | LTS0180165 |
| wikiData | Q105302419 |