8-[(1R,2S)-2-chloro-1-hydroxy-3-methylbut-3-enyl]-7-methoxychromen-2-one
| Internal ID | 2964cf2c-b77c-43bd-99bc-cde5064c02e4 |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives |
| IUPAC Name | 8-[(1R,2S)-2-chloro-1-hydroxy-3-methylbut-3-enyl]-7-methoxychromen-2-one |
| SMILES (Canonical) | CC(=C)C(C(C1=C(C=CC2=C1OC(=O)C=C2)OC)O)Cl |
| SMILES (Isomeric) | CC(=C)[C@@H]([C@@H](C1=C(C=CC2=C1OC(=O)C=C2)OC)O)Cl |
| InChI | InChI=1S/C15H15ClO4/c1-8(2)13(16)14(18)12-10(19-3)6-4-9-5-7-11(17)20-15(9)12/h4-7,13-14,18H,1H2,2-3H3/t13-,14+/m0/s1 |
| InChI Key | BLFMQRNQLZQZDG-UONOGXRCSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H15ClO4 |
| Molecular Weight | 294.73 g/mol |
| Exact Mass | 294.0658866 g/mol |
| Topological Polar Surface Area (TPSA) | 55.80 Ų |
| XlogP | 2.90 |
| There are no found synonyms. |
![2D Structure of 8-[(1R,2S)-2-chloro-1-hydroxy-3-methylbut-3-enyl]-7-methoxychromen-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/8-1r2s-2-chloro-1-hydroxy-3-methylbut-3-enyl-7-methoxychromen-2-one.jpg "2D Structure of 8-[(1R,2S)-2-chloro-1-hydroxy-3-methylbut-3-enyl]-7-methoxychromen-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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.74% | 94.45% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.96% | 94.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 90.31% | 96.95% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.30% | 98.95% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 87.85% | 90.20% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.57% | 95.56% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 85.60% | 92.29% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.79% | 97.21% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 83.32% | 83.82% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.39% | 94.73% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.86% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.30% | 96.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.28% | 90.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.08% | 86.33% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 80.28% | 85.30% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.25% | 98.75% |
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.
| Murraya paniculata |
| PubChem | 162895928 |
| LOTUS | LTS0035668 |
| wikiData | Q104937973 |