(6-Hydroxy-4-methoxy-1-benzofuran-7-yl)-[3-methyl-2-(3-methylbut-2-enyl)-6-phenylcyclohex-3-en-1-yl]methanone
| Internal ID | 3ba7a9c4-47d9-4301-9099-70e5571e7265 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Bicyclic monoterpenoids |
| IUPAC Name | (6-hydroxy-4-methoxy-1-benzofuran-7-yl)-[3-methyl-2-(3-methylbut-2-enyl)-6-phenylcyclohex-3-en-1-yl]methanone |
| SMILES (Canonical) | CC1=CCC(C(C1CC=C(C)C)C(=O)C2=C3C(=C(C=C2O)OC)C=CO3)C4=CC=CC=C4 |
| SMILES (Isomeric) | CC1=CCC(C(C1CC=C(C)C)C(=O)C2=C3C(=C(C=C2O)OC)C=CO3)C4=CC=CC=C4 |
| InChI | InChI=1S/C28H30O4/c1-17(2)10-12-20-18(3)11-13-21(19-8-6-5-7-9-19)25(20)27(30)26-23(29)16-24(31-4)22-14-15-32-28(22)26/h5-11,14-16,20-21,25,29H,12-13H2,1-4H3 |
| InChI Key | BBIJYOVNSAFLGU-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H30O4 |
| Molecular Weight | 430.50 g/mol |
| Exact Mass | 430.21440943 g/mol |
| Topological Polar Surface Area (TPSA) | 59.70 Ų |
| XlogP | 6.70 |
| There are no found synonyms. |
![2D Structure of (6-Hydroxy-4-methoxy-1-benzofuran-7-yl)-[3-methyl-2-(3-methylbut-2-enyl)-6-phenylcyclohex-3-en-1-yl]methanone](https://plantaedb.com/storage/docs/compounds/2023/11/313fcd20-81d9-11ee-8bbf-393d051e027b.jpg "2D Structure of (6-Hydroxy-4-methoxy-1-benzofuran-7-yl)-[3-methyl-2-(3-methylbut-2-enyl)-6-phenylcyclohex-3-en-1-yl]methanone")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.57% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.71% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.96% | 85.14% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 92.24% | 96.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.63% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.00% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.65% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.32% | 96.09% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 89.04% | 97.21% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.79% | 90.17% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.53% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.99% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.47% | 86.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.96% | 92.62% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.17% | 98.75% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.58% | 95.50% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.50% | 96.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.89% | 94.00% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 81.45% | 89.44% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.25% | 97.09% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 80.73% | 89.62% |
| CHEMBL5028 | O14672 | ADAM10 | 80.41% | 97.50% |
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.
| Boesenbergia rotunda |
| PubChem | 74337544 |
| LOTUS | LTS0242351 |
| wikiData | Q104922774 |