Frutescin-Chrysanthemum segetum (corn marigold)
| Internal ID | 94f95e56-45d8-4183-a3b4-a256270ec6ab |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Sesquiterpene lactones > Germacranolides and derivatives |
| IUPAC Name | (3aR,5Z,9E,11aS)-6-methyl-3-methylidene-2-oxo-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-10-carbaldehyde |
| SMILES (Canonical) | CC1=CCC2C(CC(=CCC1)C=O)OC(=O)C2=C |
| SMILES (Isomeric) | C/C/1=C/C[C@H]2[C@H](C/C(=C\CC1)/C=O)OC(=O)C2=C |
| InChI | InChI=1S/C15H18O3/c1-10-4-3-5-12(9-16)8-14-13(7-6-10)11(2)15(17)18-14/h5-6,9,13-14H,2-4,7-8H2,1H3/b10-6-,12-5+/t13-,14+/m1/s1 |
| InChI Key | OXOKNXVZMNZEGP-XQPVGIKBSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H18O3 |
| Molecular Weight | 246.30 g/mol |
| Exact Mass | 246.125594432 g/mol |
| Topological Polar Surface Area (TPSA) | 43.40 Ų |
| XlogP | 2.20 |
| Frutescin - Chrysanthemum segetum (corn marigold) |
| (3aR,5Z,9E,11aS)-6-methyl-3-methylidene-2-oxo-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-10-carbaldehyde |
| XF170494 |
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.72% | 95.56% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 94.48% | 93.40% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.80% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.35% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 89.04% | 91.49% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.49% | 94.73% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.58% | 93.03% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.45% | 97.25% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.45% | 99.23% |
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.
| Argyranthemum adauctum |
| Argyranthemum frutescens |
| PubChem | 101650349 |
| LOTUS | LTS0226715 |
| wikiData | Q105202828 |