2-[2-(2-Hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenoxy]-4,4,8-trimethyltricyclo[6.3.1.01,5]dodecan-9-ol
| Internal ID | a0105e87-c502-4447-afeb-b681715a487d |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | 2-[2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenoxy]-4,4,8-trimethyltricyclo[6.3.1.01,5]dodecan-9-ol |
| SMILES (Canonical) | CC1(CC(C23C1CCC(C2)(C(CC3)O)C)OC4=C(C=C(C=C4)CC=C)C5=C(C=CC(=C5)CC=C)O)C |
| SMILES (Isomeric) | CC1(CC(C23C1CCC(C2)(C(CC3)O)C)OC4=C(C=C(C=C4)CC=C)C5=C(C=CC(=C5)CC=C)O)C |
| InChI | InChI=1S/C33H42O3/c1-6-8-22-10-12-26(34)24(18-22)25-19-23(9-7-2)11-13-27(25)36-30-20-31(3,4)28-14-16-32(5)21-33(28,30)17-15-29(32)35/h6-7,10-13,18-19,28-30,34-35H,1-2,8-9,14-17,20-21H2,3-5H3 |
| InChI Key | YVMBMEXRHOXCPM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C33H42O3 |
| Molecular Weight | 486.70 g/mol |
| Exact Mass | 486.31339520 g/mol |
| Topological Polar Surface Area (TPSA) | 49.70 Ų |
| XlogP | 8.60 |
| There are no found synonyms. |
![2D Structure of 2-[2-(2-Hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenoxy]-4,4,8-trimethyltricyclo[6.3.1.01,5]dodecan-9-ol](https://plantaedb.com/storage/docs/compounds/2023/11/5d965c40-86de-11ee-8427-4354038597ee.jpg "2D Structure of 2-[2-(2-Hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenoxy]-4,4,8-trimethyltricyclo[6.3.1.01,5]dodecan-9-ol")
| 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 | 98.84% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.28% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.14% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 94.94% | 95.89% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.80% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.56% | 98.95% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 91.83% | 92.94% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 90.52% | 96.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.45% | 97.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.89% | 94.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.84% | 95.56% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 87.75% | 90.24% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 87.16% | 91.03% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.89% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.68% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.77% | 90.00% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 82.86% | 85.49% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.34% | 92.62% |
| CHEMBL2959 | Q08881 | Tyrosine-protein kinase ITK/TSK | 81.63% | 95.00% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 81.18% | 83.57% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 80.79% | 90.20% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.67% | 91.07% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.59% | 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.
| Magnolia obovata |
| PubChem | 14734062 |
| LOTUS | LTS0181328 |
| wikiData | Q105365606 |