methyl 3-[(3aR,8bS)-8-hydroxy-1-methylidene-3a,8b-dihydrofuro[2,3-b][1]benzofuran-7-yl]propanoate
| Internal ID | fe3b5fc0-23bc-402d-ad1e-b1c4003c0f25 |
| Taxonomy | Organoheterocyclic compounds > Coumarans |
| IUPAC Name | methyl 3-[(3aR,8bS)-8-hydroxy-1-methylidene-3a,8b-dihydrofuro[2,3-b][1]benzofuran-7-yl]propanoate |
| SMILES (Canonical) | COC(=O)CCC1=C(C2=C(C=C1)OC3C2C(=C)CO3)O |
| SMILES (Isomeric) | COC(=O)CCC1=C(C2=C(C=C1)O[C@@H]3[C@H]2C(=C)CO3)O |
| InChI | InChI=1S/C15H16O5/c1-8-7-19-15-12(8)13-10(20-15)5-3-9(14(13)17)4-6-11(16)18-2/h3,5,12,15,17H,1,4,6-7H2,2H3/t12-,15+/m0/s1 |
| InChI Key | SJXYACLNLKSVSV-SWLSCSKDSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H16O5 |
| Molecular Weight | 276.28 g/mol |
| Exact Mass | 276.09977361 g/mol |
| Topological Polar Surface Area (TPSA) | 65.00 Ų |
| XlogP | 1.50 |
| There are no found synonyms. |
![2D Structure of methyl 3-[(3aR,8bS)-8-hydroxy-1-methylidene-3a,8b-dihydrofuro[2,3-b][1]benzofuran-7-yl]propanoate](https://plantaedb.com/storage/docs/compounds/2023/11/methyl-3-3ar8bs-8-hydroxy-1-methylidene-3a8b-dihydrofuro23-b1benzofuran-7-ylpropanoate.jpg "2D Structure of methyl 3-[(3aR,8bS)-8-hydroxy-1-methylidene-3a,8b-dihydrofuro[2,3-b][1]benzofuran-7-yl]propanoate")
| 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 | 98.05% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.16% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.33% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.74% | 94.45% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 86.33% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.31% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.70% | 85.14% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.07% | 94.73% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.41% | 92.62% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.80% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.84% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.36% | 94.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.19% | 96.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 15480777 |
| LOTUS | LTS0059884 |
| wikiData | Q105254629 |