Derricin
| Internal ID | bfcef2cb-d805-49cc-b0c2-66a20f7248d7 |
| Taxonomy | Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones > 3-prenylated chalcones |
| IUPAC Name | (E)-1-[2-hydroxy-4-methoxy-3-(3-methylbut-2-enyl)phenyl]-3-phenylprop-2-en-1-one |
| SMILES (Canonical) | CC(=CCC1=C(C=CC(=C1O)C(=O)C=CC2=CC=CC=C2)OC)C |
| SMILES (Isomeric) | CC(=CCC1=C(C=CC(=C1O)C(=O)/C=C/C2=CC=CC=C2)OC)C |
| InChI | InChI=1S/C21H22O3/c1-15(2)9-11-18-20(24-3)14-12-17(21(18)23)19(22)13-10-16-7-5-4-6-8-16/h4-10,12-14,23H,11H2,1-3H3/b13-10+ |
| InChI Key | HMGRVRIPKPTWTO-JLHYYAGUSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C21H22O3 |
| Molecular Weight | 322.40 g/mol |
| Exact Mass | 322.15689456 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 5.80 |
| 38965-77-4 |
| (E)-1-[2-hydroxy-4-methoxy-3-(3-methylbut-2-enyl)phenyl]-3-phenylprop-2-en-1-one |
| 2-Propen-1-one, 1-(2-hydroxy-4-methoxy-3-(3-methyl-2-butenyl)phenyl)-3-phenyl-, (E)- |
| Acrylophenone, 2'-hydroxy-4'-methoxy-3'-(3-methyl-2-butenyl)-3-phenyl-, (E)- |
| trans-1-(2-Hydroxy-4-methoxy-3-(3-methyl-2-butenyl)phenyl)-3-phenyl-2-propen-1-one |
| CHEMBL455982 |
| SCHEMBL22979478 |
| CHEBI:137773 |
| LMPK12120009 |
| NSC270895 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 |
|---|---|---|---|---|
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.37% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 95.45% | 96.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.99% | 91.11% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 92.27% | 95.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.08% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.69% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.66% | 96.09% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 89.43% | 90.20% |
| CHEMBL2002 | P12268 | Inosine-5'-monophosphate dehydrogenase 2 | 86.10% | 98.21% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.29% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.97% | 94.73% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.51% | 90.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.05% | 85.14% |
| CHEMBL5028 | O14672 | ADAM10 | 80.96% | 97.50% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.71% | 98.75% |
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.
| Erythroxylum barbatum |
| Lonchocarpus sericeus |
| PubChem | 6052009 |
| LOTUS | LTS0105344 |
| wikiData | Q105030503 |