(2R,3S)-7-(6-hydroxy-1-benzofuran-2-yl)-2-methyl-6-(3-methylbut-2-enyl)-2-(4-methylpent-3-enyl)-3,4-dihydrochromene-3,5-diol
| Internal ID | c8b0c847-2aca-4654-be87-db7365b38072 |
| Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
| IUPAC Name | (2R,3S)-7-(6-hydroxy-1-benzofuran-2-yl)-2-methyl-6-(3-methylbut-2-enyl)-2-(4-methylpent-3-enyl)-3,4-dihydrochromene-3,5-diol |
| SMILES (Canonical) | CC(=CCCC1(C(CC2=C(O1)C=C(C(=C2O)CC=C(C)C)C3=CC4=C(O3)C=C(C=C4)O)O)C)C |
| SMILES (Isomeric) | CC(=CCC[C@@]1([C@H](CC2=C(O1)C=C(C(=C2O)CC=C(C)C)C3=CC4=C(O3)C=C(C=C4)O)O)C)C |
| InChI | InChI=1S/C29H34O5/c1-17(2)7-6-12-29(5)27(31)16-23-26(34-29)15-22(21(28(23)32)11-8-18(3)4)25-13-19-9-10-20(30)14-24(19)33-25/h7-10,13-15,27,30-32H,6,11-12,16H2,1-5H3/t27-,29+/m0/s1 |
| InChI Key | OMSUDBWEKXBBSL-LMSSTIIKSA-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 | 7.20 |
| There are no found synonyms. |
| 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 | 99.48% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.68% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.04% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.76% | 86.33% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.73% | 96.95% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 87.04% | 85.00% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 86.86% | 95.64% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.53% | 96.09% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 86.43% | 85.11% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.06% | 94.75% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.94% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.84% | 89.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.18% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.56% | 95.89% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.67% | 90.71% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 83.48% | 97.79% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.77% | 90.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.52% | 99.17% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.94% | 92.94% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.91% | 97.09% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 80.17% | 82.38% |
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 | 102251663 |
| LOTUS | LTS0184971 |
| wikiData | Q105194488 |