7-[(E)-4-[(2R,3S)-3-(2-hydroxypropan-2-yl)oxiran-2-yl]-3-methylbut-2-enoxy]chromen-2-one
| Internal ID | cee5ea46-719d-42df-ad80-83d29a2f3621 |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives |
| IUPAC Name | 7-[(E)-4-[(2R,3S)-3-(2-hydroxypropan-2-yl)oxiran-2-yl]-3-methylbut-2-enoxy]chromen-2-one |
| SMILES (Canonical) | CC(=CCOC1=CC2=C(C=C1)C=CC(=O)O2)CC3C(O3)C(C)(C)O |
| SMILES (Isomeric) | C/C(=C\COC1=CC2=C(C=C1)C=CC(=O)O2)/C[C@@H]3[C@H](O3)C(C)(C)O |
| InChI | InChI=1S/C19H22O5/c1-12(10-16-18(24-16)19(2,3)21)8-9-22-14-6-4-13-5-7-17(20)23-15(13)11-14/h4-8,11,16,18,21H,9-10H2,1-3H3/b12-8+/t16-,18+/m1/s1 |
| InChI Key | UUNMPBCTAGMNET-NNSTXHOFSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H22O5 |
| Molecular Weight | 330.40 g/mol |
| Exact Mass | 330.14672380 g/mol |
| Topological Polar Surface Area (TPSA) | 68.30 Ų |
| XlogP | 3.00 |
| There are no found synonyms. |
![2D Structure of 7-[(E)-4-[(2R,3S)-3-(2-hydroxypropan-2-yl)oxiran-2-yl]-3-methylbut-2-enoxy]chromen-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/7-e-4-2r3s-3-2-hydroxypropan-2-yloxiran-2-yl-3-methylbut-2-enoxychromen-2-one.jpg "2D Structure of 7-[(E)-4-[(2R,3S)-3-(2-hydroxypropan-2-yl)oxiran-2-yl]-3-methylbut-2-enoxy]chromen-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 |
|---|---|---|---|---|
| CHEMBL2039 | P27338 | Monoamine oxidase B | 98.75% | 92.51% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 96.59% | 94.73% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.25% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.72% | 91.49% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.60% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.02% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.72% | 99.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.09% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.29% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.77% | 86.33% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 83.60% | 89.34% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.07% | 89.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.36% | 96.09% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 81.87% | 86.92% |
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.
| Chromolaena glaberrima |
| Clausena excavata |
| Disynaphia multicrenulata |
| Eupatorium altissimum |
| Eupatorium cannabinum |
| Villanova titicacensis |
| PubChem | 163189400 |
| LOTUS | LTS0122656 |
| wikiData | Q104395944 |