7-[2,3-Dihydroxy-3-methyl-4-(4-methylidene-5-oxooxolan-2-yl)butoxy]-8-hydroxychromen-2-one
| Internal ID | 6341415e-d81b-43ae-b30a-54ed4500cf25 |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives > Hydroxycoumarins |
| IUPAC Name | 7-[2,3-dihydroxy-3-methyl-4-(4-methylidene-5-oxooxolan-2-yl)butoxy]-8-hydroxychromen-2-one |
| SMILES (Canonical) | CC(CC1CC(=C)C(=O)O1)(C(COC2=C(C3=C(C=C2)C=CC(=O)O3)O)O)O |
| SMILES (Isomeric) | CC(CC1CC(=C)C(=O)O1)(C(COC2=C(C3=C(C=C2)C=CC(=O)O3)O)O)O |
| InChI | InChI=1S/C19H20O8/c1-10-7-12(26-18(10)23)8-19(2,24)14(20)9-25-13-5-3-11-4-6-15(21)27-17(11)16(13)22/h3-6,12,14,20,22,24H,1,7-9H2,2H3 |
| InChI Key | TUZIOBDADOLYSB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H20O8 |
| Molecular Weight | 376.40 g/mol |
| Exact Mass | 376.11581759 g/mol |
| Topological Polar Surface Area (TPSA) | 123.00 Ų |
| XlogP | 1.40 |
| There are no found synonyms. |
![2D Structure of 7-[2,3-Dihydroxy-3-methyl-4-(4-methylidene-5-oxooxolan-2-yl)butoxy]-8-hydroxychromen-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/7-23-dihydroxy-3-methyl-4-4-methylidene-5-oxooxolan-2-ylbutoxy-8-hydroxychromen-2-one.jpg "2D Structure of 7-[2,3-Dihydroxy-3-methyl-4-(4-methylidene-5-oxooxolan-2-yl)butoxy]-8-hydroxychromen-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.79% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.23% | 91.49% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.21% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.52% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.16% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.57% | 94.73% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.28% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.85% | 99.23% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 86.68% | 97.21% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.48% | 96.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.17% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.37% | 99.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.34% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.35% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.25% | 97.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.36% | 85.14% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.51% | 93.56% |
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.
| Micromelum minutum |
| PubChem | 44181736 |
| LOTUS | LTS0058789 |
| wikiData | Q105265134 |