(E)-1-[(3S)-3-hydroxy-5-methoxy-2,2-dimethyl-3,4-dihydrochromen-8-yl]-3-phenylprop-2-en-1-one
| Internal ID | 32b38925-975d-4efc-a651-482321de151d |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > 2,2-dimethyl-1-benzopyrans |
| IUPAC Name | (E)-1-[(3S)-3-hydroxy-5-methoxy-2,2-dimethyl-3,4-dihydrochromen-8-yl]-3-phenylprop-2-en-1-one |
| SMILES (Canonical) | CC1(C(CC2=C(C=CC(=C2O1)C(=O)C=CC3=CC=CC=C3)OC)O)C |
| SMILES (Isomeric) | CC1([C@H](CC2=C(C=CC(=C2O1)C(=O)/C=C/C3=CC=CC=C3)OC)O)C |
| InChI | InChI=1S/C21H22O4/c1-21(2)19(23)13-16-18(24-3)12-10-15(20(16)25-21)17(22)11-9-14-7-5-4-6-8-14/h4-12,19,23H,13H2,1-3H3/b11-9+/t19-/m0/s1 |
| InChI Key | GSVIALZEJICNGV-JARZOMNASA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H22O4 |
| Molecular Weight | 338.40 g/mol |
| Exact Mass | 338.15180918 g/mol |
| Topological Polar Surface Area (TPSA) | 55.80 Ų |
| XlogP | 3.70 |
| There are no found synonyms. |
![2D Structure of (E)-1-[(3S)-3-hydroxy-5-methoxy-2,2-dimethyl-3,4-dihydrochromen-8-yl]-3-phenylprop-2-en-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/e-1-3s-3-hydroxy-5-methoxy-22-dimethyl-34-dihydrochromen-8-yl-3-phenylprop-2-en-1-one.jpg "2D Structure of (E)-1-[(3S)-3-hydroxy-5-methoxy-2,2-dimethyl-3,4-dihydrochromen-8-yl]-3-phenylprop-2-en-1-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.63% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.31% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.27% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.09% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 91.36% | 96.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 89.78% | 95.50% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.48% | 90.17% |
| CHEMBL5028 | O14672 | ADAM10 | 87.11% | 97.50% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.64% | 85.14% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.89% | 98.75% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.87% | 97.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.28% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.55% | 89.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 82.67% | 93.99% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.65% | 99.23% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.92% | 90.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.33% | 97.09% |
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.
| Anaphalis lactea |
| PubChem | 163193011 |
| LOTUS | LTS0084393 |
| wikiData | Q105017839 |