(E)-3-[(3R)-3-hydroxy-8-methoxy-2,2-dimethyl-chroman-6-yl]prop-2-enal
| Internal ID | c4533353-47d7-46a0-bf48-8c3bac22dddb |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > 2,2-dimethyl-1-benzopyrans |
| IUPAC Name | (E)-3-[(3R)-3-hydroxy-8-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl]prop-2-enal |
| SMILES (Canonical) | CC1(C(CC2=C(O1)C(=CC(=C2)C=CC=O)OC)O)C |
| SMILES (Isomeric) | CC1([C@@H](CC2=C(O1)C(=CC(=C2)/C=C/C=O)OC)O)C |
| InChI | InChI=1S/C15H18O4/c1-15(2)13(17)9-11-7-10(5-4-6-16)8-12(18-3)14(11)19-15/h4-8,13,17H,9H2,1-3H3/b5-4+/t13-/m1/s1 |
| InChI Key | LSAXADXKZSCAEI-MUBLQREKSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C15H18O4 |
| Molecular Weight | 262.30 g/mol |
| Exact Mass | 262.12050905 g/mol |
| Topological Polar Surface Area (TPSA) | 55.80 Ų |
| XlogP | 1.80 |
| (E)-3-[(3R)-3-hydroxy-8-methoxy-2,2-dimethyl-chroman-6-yl]prop-2-enal |
![2D Structure of (E)-3-[(3R)-3-hydroxy-8-methoxy-2,2-dimethyl-chroman-6-yl]prop-2-enal](https://plantaedb.com/storage/docs/compounds/2023/11/e-3-3r-3-hydroxy-8-methoxy-22-dimethyl-chroman-6-ylprop-2-enal.jpg "2D Structure of (E)-3-[(3R)-3-hydroxy-8-methoxy-2,2-dimethyl-chroman-6-yl]prop-2-enal")
| 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 | 97.80% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.27% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.13% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 91.23% | 96.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.71% | 86.33% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.60% | 92.94% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.29% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.78% | 94.45% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.03% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.74% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.55% | 95.89% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.46% | 85.14% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.58% | 94.73% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.00% | 90.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.12% | 97.14% |
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.
| Zanthoxylum wutaiense |
| PubChem | 53240367 |
| LOTUS | LTS0202996 |
| wikiData | Q105156447 |