5-(6-Hydroxy-1-benzofuran-2-yl)-7-methoxy-2,2-dimethyl-6-(3-methylbut-2-enyl)-3,4-dihydrochromen-3-ol
| Internal ID | 2d407f57-3adf-41f4-8ee6-baf87ce438c2 |
| Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
| IUPAC Name | 5-(6-hydroxy-1-benzofuran-2-yl)-7-methoxy-2,2-dimethyl-6-(3-methylbut-2-enyl)-3,4-dihydrochromen-3-ol |
| SMILES (Canonical) | CC(=CCC1=C(C=C2C(=C1C3=CC4=C(O3)C=C(C=C4)O)CC(C(O2)(C)C)O)OC)C |
| SMILES (Isomeric) | CC(=CCC1=C(C=C2C(=C1C3=CC4=C(O3)C=C(C=C4)O)CC(C(O2)(C)C)O)OC)C |
| InChI | InChI=1S/C25H28O5/c1-14(2)6-9-17-20(28-5)13-21-18(12-23(27)25(3,4)30-21)24(17)22-10-15-7-8-16(26)11-19(15)29-22/h6-8,10-11,13,23,26-27H,9,12H2,1-5H3 |
| InChI Key | RTIHYBYAAIMTLD-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H28O5 |
| Molecular Weight | 408.50 g/mol |
| Exact Mass | 408.19367399 g/mol |
| Topological Polar Surface Area (TPSA) | 72.10 Ų |
| XlogP | 5.50 |
| 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 | 99.68% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.42% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.58% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.36% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.15% | 86.33% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 90.85% | 85.30% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 90.33% | 96.95% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 88.32% | 85.49% |
| CHEMBL240 | Q12809 | HERG | 87.86% | 89.76% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.15% | 94.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.09% | 99.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.81% | 95.89% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 86.46% | 89.50% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.53% | 90.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.28% | 92.94% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.10% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.62% | 85.14% |
| CHEMBL4355 | O14976 | Serine/threonine-protein kinase GAK | 82.87% | 89.32% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 82.62% | 82.38% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 81.92% | 85.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.79% | 97.09% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 80.55% | 94.03% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 80.47% | 89.62% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.35% | 98.75% |
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.
| Morus cathayana |
| PubChem | 74932299 |
| LOTUS | LTS0143711 |
| wikiData | Q105245155 |