2-[7-hydroxy-2,2-dimethyl-6-(3-methylbut-2-enyl)-3,4-dihydrochromen-5-yl]-7-[(2R)-3-methylbut-3-en-2-yl]-1-benzofuran-4,6-diol
| Internal ID | 7281f213-7ee3-46ae-9c18-45bc4eb6b4b0 |
| Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
| IUPAC Name | 2-[7-hydroxy-2,2-dimethyl-6-(3-methylbut-2-enyl)-3,4-dihydrochromen-5-yl]-7-[(2R)-3-methylbut-3-en-2-yl]-1-benzofuran-4,6-diol |
| SMILES (Canonical) | CC(C1=C(C=C(C2=C1OC(=C2)C3=C(C(=CC4=C3CCC(O4)(C)C)O)CC=C(C)C)O)O)C(=C)C |
| SMILES (Isomeric) | C[C@@H](C1=C(C=C(C2=C1OC(=C2)C3=C(C(=CC4=C3CCC(O4)(C)C)O)CC=C(C)C)O)O)C(=C)C |
| InChI | InChI=1S/C29H34O5/c1-15(2)8-9-18-22(31)14-24-19(10-11-29(6,7)34-24)27(18)25-12-20-21(30)13-23(32)26(28(20)33-25)17(5)16(3)4/h8,12-14,17,30-32H,3,9-11H2,1-2,4-7H3/t17-/m1/s1 |
| InChI Key | YWNCWWDNQQMURU-QGZVFWFLSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H34O5 |
| Molecular Weight | 462.60 g/mol |
| Exact Mass | 462.24062418 g/mol |
| Topological Polar Surface Area (TPSA) | 83.10 Ų |
| XlogP | 7.90 |
| There are no found synonyms. |
![2D Structure of 2-[7-hydroxy-2,2-dimethyl-6-(3-methylbut-2-enyl)-3,4-dihydrochromen-5-yl]-7-[(2R)-3-methylbut-3-en-2-yl]-1-benzofuran-4,6-diol](https://plantaedb.com/storage/docs/compounds/2023/11/3ad62740-8653-11ee-9ba7-09681d7ede9a.jpg "2D Structure of 2-[7-hydroxy-2,2-dimethyl-6-(3-methylbut-2-enyl)-3,4-dihydrochromen-5-yl]-7-[(2R)-3-methylbut-3-en-2-yl]-1-benzofuran-4,6-diol")
| 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 | 99.87% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.79% | 91.49% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.77% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.03% | 98.95% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 90.37% | 93.40% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.77% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.40% | 94.73% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 88.15% | 91.38% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 87.61% | 85.30% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.34% | 90.17% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.15% | 99.15% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 84.34% | 89.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.24% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.68% | 100.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.64% | 92.62% |
| CHEMBL233 | P35372 | Mu opioid receptor | 82.96% | 97.93% |
| CHEMBL3286 | P00749 | Urokinase-type plasminogen activator | 81.70% | 97.88% |
| CHEMBL344 | Q99705 | Melanin-concentrating hormone receptor 1 | 80.77% | 92.50% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 80.70% | 96.09% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 80.25% | 80.96% |
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 petelotii |
| PubChem | 163044135 |
| LOTUS | LTS0169177 |
| wikiData | Q105366963 |