Meleucanthin
| Internal ID | 0f0033be-f7d7-4687-a747-805cad27715b |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Sesquiterpene lactones > Eudesmanolides, secoeudesmanolides, and derivatives |
| IUPAC Name | methyl (3aS,4S,5S,5aR,9aS,9bR)-5-acetyloxy-4-[(2S,3S)-2,3-dimethyloxirane-2-carbonyl]oxy-9-methyl-3-methylidene-2-oxo-4,5,9a,9b-tetrahydro-3aH-benzo[g][1]benzofuran-5a-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H26O9/c1-10-8-7-9-23(21(27)28-6)15(10)16-14(11(2)19(25)30-16)17(18(23)29-13(4)24)31-20(26)22(5)12(3)32-22/h7-9,12,14-18H,2H2,1,3-6H3/t12-,14-,15+,16-,17-,18+,22-,23+/m0/s1 |
| InChI Key | MJPMGKKVXFTUTF-PAJLOVDVSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C23H26O9 |
| Molecular Weight | 446.40 g/mol |
| Exact Mass | 446.15768240 g/mol |
| Topological Polar Surface Area (TPSA) | 118.00 Ų |
| XlogP | 1.60 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 98.87% | 83.82% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.84% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.69% | 85.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 93.44% | 99.23% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.24% | 98.95% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 88.76% | 91.07% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.38% | 95.56% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 85.79% | 94.42% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.32% | 94.00% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 84.73% | 81.11% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.05% | 95.50% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.02% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.84% | 96.09% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.22% | 97.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.03% | 86.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.65% | 91.19% |
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.
| Melampodium leucanthum |
| PubChem | 122178693 |
| LOTUS | LTS0214129 |
| wikiData | Q105165570 |