(E)-1-[(3R)-3,5-dihydroxy-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl]-3-phenylprop-2-en-1-one
| Internal ID | 6e95dfd5-ed0f-4cdc-83c1-24e2f99d1430 |
| Taxonomy | Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones > 2-Hydroxychalcones |
| IUPAC Name | (E)-1-[(3R)-3,5-dihydroxy-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl]-3-phenylprop-2-en-1-one |
| SMILES (Canonical) | CC1(C(CC2=C(C(=C(C=C2O1)OC)C(=O)C=CC3=CC=CC=C3)O)O)C |
| SMILES (Isomeric) | CC1([C@@H](CC2=C(C(=C(C=C2O1)OC)C(=O)/C=C/C3=CC=CC=C3)O)O)C |
| InChI | InChI=1S/C21H22O5/c1-21(2)18(23)11-14-16(26-21)12-17(25-3)19(20(14)24)15(22)10-9-13-7-5-4-6-8-13/h4-10,12,18,23-24H,11H2,1-3H3/b10-9+/t18-/m1/s1 |
| InChI Key | XCGFMISMLHKMLS-QZEKMECESA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H22O5 |
| Molecular Weight | 354.40 g/mol |
| Exact Mass | 354.14672380 g/mol |
| Topological Polar Surface Area (TPSA) | 76.00 Ų |
| XlogP | 3.90 |
| There are no found synonyms. |
![2D Structure of (E)-1-[(3R)-3,5-dihydroxy-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl]-3-phenylprop-2-en-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/e-1-3r-35-dihydroxy-7-methoxy-22-dimethyl-34-dihydrochromen-6-yl-3-phenylprop-2-en-1-one.jpg "2D Structure of (E)-1-[(3R)-3,5-dihydroxy-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-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 | 99.67% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.66% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.81% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.15% | 95.56% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 93.20% | 93.99% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 93.04% | 96.00% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 91.51% | 89.44% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.96% | 89.00% |
| CHEMBL2002 | P12268 | Inosine-5'-monophosphate dehydrogenase 2 | 88.85% | 98.21% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.56% | 98.95% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 88.04% | 89.67% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.68% | 95.50% |
| CHEMBL5028 | O14672 | ADAM10 | 84.90% | 97.50% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.66% | 99.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.75% | 85.14% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 81.36% | 85.49% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.62% | 98.75% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.49% | 97.14% |
| CHEMBL3194 | P02766 | Transthyretin | 80.12% | 90.71% |
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.
| Cedrelopsis grevei |
| PubChem | 162963488 |
| LOTUS | LTS0183445 |
| wikiData | Q105325018 |