Methyl 2-[6-hydroxy-2-methyl-2-(4-methylpent-3-enyl)chromen-8-yl]acetate
| Internal ID | 3a748d58-fc8a-4923-9f11-856358fe195e |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans |
| IUPAC Name | methyl 2-[6-hydroxy-2-methyl-2-(4-methylpent-3-enyl)chromen-8-yl]acetate |
| SMILES (Canonical) | CC(=CCCC1(C=CC2=C(O1)C(=CC(=C2)O)CC(=O)OC)C)C |
| SMILES (Isomeric) | CC(=CCCC1(C=CC2=C(O1)C(=CC(=C2)O)CC(=O)OC)C)C |
| InChI | InChI=1S/C19H24O4/c1-13(2)6-5-8-19(3)9-7-14-10-16(20)11-15(18(14)23-19)12-17(21)22-4/h6-7,9-11,20H,5,8,12H2,1-4H3 |
| InChI Key | ZWEPBJKMGSZZLH-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C19H24O4 |
| Molecular Weight | 316.40 g/mol |
| Exact Mass | 316.16745924 g/mol |
| Topological Polar Surface Area (TPSA) | 55.80 Ų |
| XlogP | 4.20 |
| There are no found synonyms. |
![2D Structure of Methyl 2-[6-hydroxy-2-methyl-2-(4-methylpent-3-enyl)chromen-8-yl]acetate](https://plantaedb.com/storage/docs/compounds/2023/11/methyl-2-6-hydroxy-2-methyl-2-4-methylpent-3-enylchromen-8-ylacetate.jpg "2D Structure of Methyl 2-[6-hydroxy-2-methyl-2-(4-methylpent-3-enyl)chromen-8-yl]acetate")
| 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 | 99.64% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.52% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.29% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.26% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.97% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.76% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.41% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.24% | 90.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.88% | 96.95% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.72% | 96.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.31% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.10% | 89.00% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 82.25% | 97.28% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.23% | 91.07% |
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.
| Lettowianthus stellatus |
| PubChem | 90735326 |
| LOTUS | LTS0024426 |
| wikiData | Q105384854 |