Crotarin
| Internal ID | 5edc10f4-2e3c-4fb3-8924-d270ee9cec9b |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflav-2-enes > Isoflavones |
| IUPAC Name | 5,7-dihydroxy-3-(4-hydroxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-7-yl)chromen-4-one |
| SMILES (Canonical) | CC(=C)C1CC2=C(C=CC(=C2O1)C3=COC4=CC(=CC(=C4C3=O)O)O)O |
| SMILES (Isomeric) | CC(=C)C1CC2=C(C=CC(=C2O1)C3=COC4=CC(=CC(=C4C3=O)O)O)O |
| InChI | InChI=1S/C20H16O6/c1-9(2)16-7-12-14(22)4-3-11(20(12)26-16)13-8-25-17-6-10(21)5-15(23)18(17)19(13)24/h3-6,8,16,21-23H,1,7H2,2H3 |
| InChI Key | YAWLWHBWDHQRRT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H16O6 |
| Molecular Weight | 352.30 g/mol |
| Exact Mass | 352.09468823 g/mol |
| Topological Polar Surface Area (TPSA) | 96.20 Ų |
| XlogP | 4.00 |
| 109517-69-3 |
| DTXSID20911225 |
| LMPK12050280 |
| 5,7-Dihydroxy-3-[4-hydroxy-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-7-yl]-4H-1-benzopyran-4-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 | 99.25% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.47% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.95% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.91% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.10% | 95.56% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 94.02% | 96.12% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.83% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.97% | 99.23% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 85.60% | 93.65% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 83.81% | 93.40% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.19% | 90.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.82% | 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.
| Crotalaria madurensis |
| PubChem | 5491742 |
| LOTUS | LTS0201767 |
| wikiData | Q82881316 |