7-[(E)-3-methyl-5-[(1R)-1,3,3-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]pent-2-enoxy]chromen-2-one
| Internal ID | 3c51f108-d2d9-4244-b709-5cba5d3a4e73 |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives |
| IUPAC Name | 7-[(E)-3-methyl-5-[(1R)-1,3,3-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]pent-2-enoxy]chromen-2-one |
| SMILES (Canonical) | CC(=CCOC1=CC2=C(C=C1)C=CC(=O)O2)CCC3C(C4CCC3(O4)C)(C)C |
| SMILES (Isomeric) | C/C(=C\COC1=CC2=C(C=C1)C=CC(=O)O2)/CCC3[C@]4(CCC(C3(C)C)O4)C |
| InChI | InChI=1S/C24H30O4/c1-16(5-9-20-23(2,3)21-11-13-24(20,4)28-21)12-14-26-18-8-6-17-7-10-22(25)27-19(17)15-18/h6-8,10,12,15,20-21H,5,9,11,13-14H2,1-4H3/b16-12+/t20?,21?,24-/m1/s1 |
| InChI Key | OCHZHKVSLMBEJP-KCDRZUPWSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H30O4 |
| Molecular Weight | 382.50 g/mol |
| Exact Mass | 382.21440943 g/mol |
| Topological Polar Surface Area (TPSA) | 44.80 Ų |
| XlogP | 5.50 |
| There are no found synonyms. |
![2D Structure of 7-[(E)-3-methyl-5-[(1R)-1,3,3-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]pent-2-enoxy]chromen-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/7-e-3-methyl-5-1r-133-trimethyl-7-oxabicyclo221heptan-2-ylpent-2-enoxychromen-2-one.jpg "2D Structure of 7-[(E)-3-methyl-5-[(1R)-1,3,3-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]pent-2-enoxy]chromen-2-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 | 99.42% | 91.11% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 98.70% | 92.51% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.70% | 97.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 92.50% | 91.49% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.60% | 94.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.14% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.62% | 99.17% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 88.12% | 97.53% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.44% | 94.45% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.44% | 90.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.63% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.36% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.27% | 95.89% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.72% | 94.73% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.52% | 92.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.12% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.50% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.47% | 99.23% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.27% | 94.75% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.23% | 99.15% |
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.
| Ferula assa-foetida |
| PubChem | 5317324 |
| LOTUS | LTS0261650 |
| wikiData | Q105189380 |