Marianin A
| Internal ID | dbed0ae0-c46f-4d1b-9d88-964307488e48 |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives |
| IUPAC Name | 5-methyl-4,7-bis(3-methylbut-2-enoxy)chromen-2-one |
| SMILES (Canonical) | CC1=CC(=CC2=C1C(=CC(=O)O2)OCC=C(C)C)OCC=C(C)C |
| SMILES (Isomeric) | CC1=CC(=CC2=C1C(=CC(=O)O2)OCC=C(C)C)OCC=C(C)C |
| InChI | InChI=1S/C20H24O4/c1-13(2)6-8-22-16-10-15(5)20-17(23-9-7-14(3)4)12-19(21)24-18(20)11-16/h6-7,10-12H,8-9H2,1-5H3 |
| InChI Key | YYRFSVLPVFHWOJ-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H24O4 |
| Molecular Weight | 328.40 g/mol |
| Exact Mass | 328.16745924 g/mol |
| Topological Polar Surface Area (TPSA) | 44.80 Ų |
| XlogP | 4.90 |
| CHEBI:68107 |
| CHEMBL1783110 |
| Q27136599 |
| 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 | 95.77% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.93% | 94.73% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 93.93% | 89.34% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.73% | 94.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.02% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.27% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.65% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.81% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.21% | 90.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.20% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.33% | 89.00% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 82.95% | 93.65% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.42% | 96.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.74% | 85.14% |
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.
| There are no matching plants. |
| PubChem | 53262701 |
| LOTUS | LTS0110173 |
| wikiData | Q27136599 |