Merrekentrone C
Internal ID | 0dcf82a7-9e18-409a-b663-55a4de05ac4e |
Taxonomy | Organoheterocyclic compounds > Dihydrofurans > Furanones |
IUPAC Name | 5-(furan-3-yl)-2-methyl-2-(4-methyl-2-oxopent-3-enyl)furan-3-one |
SMILES (Canonical) | CC(=CC(=O)CC1(C(=O)C=C(O1)C2=COC=C2)C)C |
SMILES (Isomeric) | CC(=CC(=O)CC1(C(=O)C=C(O1)C2=COC=C2)C)C |
InChI | InChI=1S/C15H16O4/c1-10(2)6-12(16)8-15(3)14(17)7-13(19-15)11-4-5-18-9-11/h4-7,9H,8H2,1-3H3 |
InChI Key | UWVQKUQCCZIUHK-UHFFFAOYSA-N |
Popularity | 2 references in papers |
Molecular Formula | C15H16O4 |
Molecular Weight | 260.28 g/mol |
Exact Mass | 260.10485899 g/mol |
Topological Polar Surface Area (TPSA) | 56.50 Ų |
XlogP | 2.10 |
5-(Furan-3-yl)-2-methyl-2-(4-methyl-2-oxopent-3-enyl)furan-3-one |
![2D Structure of Merrekentrone C 2D Structure of Merrekentrone C](https://plantaedb.com/storage/docs/compounds/2023/11/merrekentrone-c.jpg)
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 | 96.70% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 95.80% | 98.95% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.12% | 96.09% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.40% | 89.00% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.81% | 85.14% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 89.54% | 91.49% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.78% | 86.33% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.04% | 90.17% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.94% | 94.45% |
CHEMBL3401 | O75469 | Pregnane X receptor | 87.44% | 94.73% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.94% | 95.56% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.23% | 99.17% |
CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 80.84% | 97.28% |
CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 80.63% | 94.80% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.16% | 96.00% |
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.
Distimake kentrocaulos |
PubChem | 10912253 |
LOTUS | LTS0122505 |
wikiData | Q105280581 |