2-[(1S,4R,13S)-1,5,5-trimethyl-10-(3-methylbut-2-enyl)-6,15-dioxatetracyclo[9.3.1.04,13.07,12]pentadeca-7(12),8,10-trien-9-yl]-1-benzofuran-6-ol
| Internal ID | e62ceb91-bb5d-47b9-8970-09cd0fb3b806 |
| Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
| IUPAC Name | 2-[(1S,4R,13S)-1,5,5-trimethyl-10-(3-methylbut-2-enyl)-6,15-dioxatetracyclo[9.3.1.04,13.07,12]pentadeca-7(12),8,10-trien-9-yl]-1-benzofuran-6-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C29H32O4/c1-16(2)6-9-19-20(24-12-17-7-8-18(30)13-23(17)31-24)14-25-26-21-15-29(5,33-27(19)26)11-10-22(21)28(3,4)32-25/h6-8,12-14,21-22,30H,9-11,15H2,1-5H3/t21-,22+,29-/m0/s1 |
| InChI Key | MGQFZUKDGZUBJQ-KERYWQKISA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C29H32O4 |
| Molecular Weight | 444.60 g/mol |
| Exact Mass | 444.23005950 g/mol |
| Topological Polar Surface Area (TPSA) | 51.80 Ų |
| XlogP | 7.10 |
| There are no found synonyms. |
![2D Structure of 2-[(1S,4R,13S)-1,5,5-trimethyl-10-(3-methylbut-2-enyl)-6,15-dioxatetracyclo[9.3.1.04,13.07,12]pentadeca-7(12),8,10-trien-9-yl]-1-benzofuran-6-ol](https://plantaedb.com/storage/docs/compounds/2023/11/ae07e7d0-83f1-11ee-af1e-b94b4006a36d.jpg "2D Structure of 2-[(1S,4R,13S)-1,5,5-trimethyl-10-(3-methylbut-2-enyl)-6,15-dioxatetracyclo[9.3.1.04,13.07,12]pentadeca-7(12),8,10-trien-9-yl]-1-benzofuran-6-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.95% | 91.11% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 92.41% | 100.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.24% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.75% | 98.95% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 90.20% | 85.49% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.90% | 97.09% |
| CHEMBL344 | Q99705 | Melanin-concentrating hormone receptor 1 | 89.59% | 92.50% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 89.55% | 85.30% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 89.54% | 98.35% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 88.94% | 96.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.32% | 90.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.91% | 94.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.28% | 89.00% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 85.19% | 83.57% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.16% | 90.71% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.81% | 92.94% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.49% | 86.33% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 84.36% | 90.24% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.96% | 94.45% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 83.84% | 89.05% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.99% | 95.89% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 81.38% | 93.10% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 81.33% | 85.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 80.28% | 95.93% |
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.
| Artocarpus lacucha |
| PubChem | 162973439 |
| LOTUS | LTS0073036 |
| wikiData | Q105163504 |