(2S,3S)-3-hydroxy-5-methoxy-2-prop-1-en-2-yl-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione
| Internal ID | 14fd3d87-c0c6-4566-a352-4a6e4553611a |
| Taxonomy | Organoheterocyclic compounds > Naphthofurans |
| IUPAC Name | (2S,3S)-3-hydroxy-5-methoxy-2-prop-1-en-2-yl-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione |
| SMILES (Canonical) | CC(=C)C1C(C2=C(O1)C(=O)C3=C(C2=O)C(=CC=C3)OC)O |
| SMILES (Isomeric) | CC(=C)[C@H]1[C@H](C2=C(O1)C(=O)C3=C(C2=O)C(=CC=C3)OC)O |
| InChI | InChI=1S/C16H14O5/c1-7(2)15-14(19)11-13(18)10-8(12(17)16(11)21-15)5-4-6-9(10)20-3/h4-6,14-15,19H,1H2,2-3H3/t14-,15-/m0/s1 |
| InChI Key | PWZYXEDCZFMAPK-GJZGRUSLSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H14O5 |
| Molecular Weight | 286.28 g/mol |
| Exact Mass | 286.08412354 g/mol |
| Topological Polar Surface Area (TPSA) | 72.80 Ų |
| XlogP | 1.80 |
| There are no found synonyms. |
![2D Structure of (2S,3S)-3-hydroxy-5-methoxy-2-prop-1-en-2-yl-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione](https://plantaedb.com/storage/docs/compounds/2023/11/2s3s-3-hydroxy-5-methoxy-2-prop-1-en-2-yl-23-dihydrobenzof1benzofuran-49-dione.jpg "2D Structure of (2S,3S)-3-hydroxy-5-methoxy-2-prop-1-en-2-yl-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione")
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.32% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.87% | 99.23% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.52% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.35% | 85.14% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.29% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.94% | 86.33% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 89.86% | 91.49% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.44% | 94.00% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 88.68% | 94.03% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 85.84% | 93.03% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 85.20% | 96.38% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.95% | 89.00% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 84.46% | 96.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.11% | 98.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.77% | 95.89% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.66% | 96.09% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.22% | 97.14% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.34% | 96.00% |
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.
| Newbouldia laevis |
| PubChem | 162938161 |
| LOTUS | LTS0081659 |
| wikiData | Q105216072 |