7-methoxy-6-[(1R)-1-[(1S)-1-(7-methoxy-2,2-dimethylchromen-6-yl)ethoxy]ethyl]-2,2-dimethylchromene
| Internal ID | 0fcc1995-f6cd-47e9-b9f0-b69a7c580b03 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > 2,2-dimethyl-1-benzopyrans |
| IUPAC Name | 7-methoxy-6-[(1R)-1-[(1S)-1-(7-methoxy-2,2-dimethylchromen-6-yl)ethoxy]ethyl]-2,2-dimethylchromene |
| SMILES (Canonical) | CC(C1=C(C=C2C(=C1)C=CC(O2)(C)C)OC)OC(C)C3=C(C=C4C(=C3)C=CC(O4)(C)C)OC |
| SMILES (Isomeric) | C[C@H](C1=C(C=C2C(=C1)C=CC(O2)(C)C)OC)O[C@@H](C)C3=C(C=C4C(=C3)C=CC(O4)(C)C)OC |
| InChI | InChI=1S/C28H34O5/c1-17(21-13-19-9-11-27(3,4)32-23(19)15-25(21)29-7)31-18(2)22-14-20-10-12-28(5,6)33-24(20)16-26(22)30-8/h9-18H,1-8H3/t17-,18+ |
| InChI Key | YVOFPTMROPMBQF-HDICACEKSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H34O5 |
| Molecular Weight | 450.60 g/mol |
| Exact Mass | 450.24062418 g/mol |
| Topological Polar Surface Area (TPSA) | 46.20 Ų |
| XlogP | 5.70 |
| There are no found synonyms. |
![2D Structure of 7-methoxy-6-[(1R)-1-[(1S)-1-(7-methoxy-2,2-dimethylchromen-6-yl)ethoxy]ethyl]-2,2-dimethylchromene](https://plantaedb.com/storage/docs/compounds/2023/11/7-methoxy-6-1r-1-1s-1-7-methoxy-22-dimethylchromen-6-ylethoxyethyl-22-dimethylchromene.jpg "2D Structure of 7-methoxy-6-[(1R)-1-[(1S)-1-(7-methoxy-2,2-dimethylchromen-6-yl)ethoxy]ethyl]-2,2-dimethylchromene")
| 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.81% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.95% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.29% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.56% | 85.14% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.33% | 97.14% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 85.44% | 96.77% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.53% | 94.00% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 84.37% | 85.30% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 84.09% | 89.50% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.12% | 98.75% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.73% | 92.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.11% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.55% | 96.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.41% | 90.00% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 81.35% | 82.38% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 80.76% | 95.71% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.68% | 98.95% |
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.
| Ageratum conyzoides |
| PubChem | 137317 |
| LOTUS | LTS0222533 |
| wikiData | Q105365709 |