7-[[3-(4-Hydroxy-4-methylpent-2-enyl)-3-methyloxiran-2-yl]methoxy]-6,8-dimethoxychromen-2-one
| Internal ID | ff24329c-6c4e-4332-b64b-3f1a586743bb |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives |
| IUPAC Name | 7-[[3-(4-hydroxy-4-methylpent-2-enyl)-3-methyloxiran-2-yl]methoxy]-6,8-dimethoxychromen-2-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H26O7/c1-20(2,23)9-6-10-21(3)15(28-21)12-26-18-14(24-4)11-13-7-8-16(22)27-17(13)19(18)25-5/h6-9,11,15,23H,10,12H2,1-5H3 |
| InChI Key | CGXAJBTWWMSBAI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H26O7 |
| Molecular Weight | 390.40 g/mol |
| Exact Mass | 390.16785316 g/mol |
| Topological Polar Surface Area (TPSA) | 86.80 Ų |
| XlogP | 2.40 |
| There are no found synonyms. |
![2D Structure of 7-[[3-(4-Hydroxy-4-methylpent-2-enyl)-3-methyloxiran-2-yl]methoxy]-6,8-dimethoxychromen-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/7-3-4-hydroxy-4-methylpent-2-enyl-3-methyloxiran-2-ylmethoxy-68-dimethoxychromen-2-one.jpg "2D Structure of 7-[[3-(4-Hydroxy-4-methylpent-2-enyl)-3-methyloxiran-2-yl]methoxy]-6,8-dimethoxychromen-2-one")
| 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 | 98.78% | 91.11% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 94.41% | 94.75% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.08% | 94.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.11% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.04% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.52% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.52% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.74% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.04% | 96.09% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.56% | 92.62% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.30% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.73% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.86% | 99.23% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.68% | 91.07% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 83.82% | 85.49% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.61% | 97.25% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.37% | 96.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.06% | 90.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.51% | 92.94% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 82.00% | 100.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.81% | 96.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.57% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.53% | 97.09% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.40% | 98.75% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 81.39% | 95.83% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.81% | 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.
| Ailanthus altissima |
| PubChem | 163044027 |
| LOTUS | LTS0081446 |
| wikiData | Q104958367 |