Derricidin
| Internal ID | f09d1d3c-ad9f-4ed6-9cb2-2fefa127d8a8 |
| Taxonomy | Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones > 2-Hydroxychalcones |
| IUPAC Name | (E)-1-[2-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-3-phenylprop-2-en-1-one |
| SMILES (Canonical) | CC(=CCOC1=CC(=C(C=C1)C(=O)C=CC2=CC=CC=C2)O)C |
| SMILES (Isomeric) | CC(=CCOC1=CC(=C(C=C1)C(=O)/C=C/C2=CC=CC=C2)O)C |
| InChI | InChI=1S/C20H20O3/c1-15(2)12-13-23-17-9-10-18(20(22)14-17)19(21)11-8-16-6-4-3-5-7-16/h3-12,14,22H,13H2,1-2H3/b11-8+ |
| InChI Key | DGUGLZYULGVSIZ-DHZHZOJOSA-N |
| Popularity | 11 references in papers |
| Molecular Formula | C20H20O3 |
| Molecular Weight | 308.40 g/mol |
| Exact Mass | 308.14124450 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 5.40 |
| Cordoin |
| 38965-74-1 |
| (E)-1-[2-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-3-phenylprop-2-en-1-one |
| 2-Propen-1-one, 1-(2-hydroxy-4-((3-methyl-2-butenyl)oxy)phenyl)-3-phenyl-, (E)- |
| trans-1-(2-Hydroxy-4-((3-methyl-2-butenyl)oxy)phenyl)-3-phenyl-2-propen-1-one |
| 2-Propen-1-one, 1-[2-hydroxy-4-[(3-methyl-2-butenyl)oxy]phenyl]-3-phenyl-, (E)- |
| substituted chalcone, 5a |
| D0US0J |
| 51619-65-9 |
| CHEMBL450771 |
| 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 |
|---|---|---|---|---|---|
| CHEMBL2039 | P27338 | Monoamine oxidase B |
18620.87 nM 18760 nM |
IC50 IC50 |
PMID: 19378991
PMID: 19378991 |
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.21% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.88% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.52% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.28% | 98.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 92.74% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.19% | 95.56% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 91.26% | 94.62% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 90.84% | 95.50% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.39% | 94.73% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 90.37% | 96.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.34% | 96.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.01% | 99.15% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.37% | 98.75% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.27% | 90.17% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 84.46% | 91.71% |
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.
| Liquidambar orientalis |
| Lonchocarpus sericeus |
| Millettia erythrocalyx |
| PubChem | 5961410 |
| NPASS | NPC240593 |
| ChEMBL | CHEMBL450771 |
| LOTUS | LTS0040807 |
| wikiData | Q104979298 |