(3R)-2,2-dimethyl-6-[(E)-3-phenylprop-2-enyl]-3,4-dihydrochromene-3,7-diol
| Internal ID | f3400e33-355b-4d72-a7d3-2b518db08856 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > 2,2-dimethyl-1-benzopyrans |
| IUPAC Name | (3R)-2,2-dimethyl-6-[(E)-3-phenylprop-2-enyl]-3,4-dihydrochromene-3,7-diol |
| SMILES (Canonical) | CC1(C(CC2=CC(=C(C=C2O1)O)CC=CC3=CC=CC=C3)O)C |
| SMILES (Isomeric) | CC1([C@@H](CC2=CC(=C(C=C2O1)O)C/C=C/C3=CC=CC=C3)O)C |
| InChI | InChI=1S/C20H22O3/c1-20(2)19(22)12-16-11-15(17(21)13-18(16)23-20)10-6-9-14-7-4-3-5-8-14/h3-9,11,13,19,21-22H,10,12H2,1-2H3/b9-6+/t19-/m1/s1 |
| InChI Key | NLAQWZQGWYIKLB-MBNRZODZSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H22O3 |
| Molecular Weight | 310.40 g/mol |
| Exact Mass | 310.15689456 g/mol |
| Topological Polar Surface Area (TPSA) | 49.70 Ų |
| XlogP | 4.10 |
| There are no found synonyms. |
![2D Structure of (3R)-2,2-dimethyl-6-[(E)-3-phenylprop-2-enyl]-3,4-dihydrochromene-3,7-diol](https://plantaedb.com/storage/docs/compounds/2023/11/3r-22-dimethyl-6-e-3-phenylprop-2-enyl-34-dihydrochromene-37-diol.jpg "2D Structure of (3R)-2,2-dimethyl-6-[(E)-3-phenylprop-2-enyl]-3,4-dihydrochromene-3,7-diol")
| 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 | 99.76% | 91.11% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 97.41% | 93.99% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.36% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.56% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.00% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.90% | 95.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.26% | 90.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.88% | 96.00% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 88.54% | 91.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.02% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.63% | 89.00% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 83.53% | 89.44% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 82.79% | 94.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.10% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.76% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.47% | 99.17% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.82% | 100.00% |
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.
| Erythrina crista-galli |
| PubChem | 163186777 |
| LOTUS | LTS0082030 |
| wikiData | Q105181236 |