[(1R,3R,5R,8E,11S)-9-formyl-14-methylidene-13-oxo-4,12-dioxatricyclo[9.3.0.03,5]tetradec-8-en-5-yl]methyl 3-methylbut-2-enoate
| Internal ID | bb2b508b-7915-43ba-aeff-63cc56e195c7 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
| IUPAC Name | [(1R,3R,5R,8E,11S)-9-formyl-14-methylidene-13-oxo-4,12-dioxatricyclo[9.3.0.03,5]tetradec-8-en-5-yl]methyl 3-methylbut-2-enoate |
| SMILES (Canonical) | CC(=CC(=O)OCC12CCC=C(CC3C(CC1O2)C(=C)C(=O)O3)C=O)C |
| SMILES (Isomeric) | CC(=CC(=O)OC[C@]12CC/C=C(\C[C@H]3[C@H](C[C@H]1O2)C(=C)C(=O)O3)/C=O)C |
| InChI | InChI=1S/C20H24O6/c1-12(2)7-18(22)24-11-20-6-4-5-14(10-21)8-16-15(9-17(20)26-20)13(3)19(23)25-16/h5,7,10,15-17H,3-4,6,8-9,11H2,1-2H3/b14-5+/t15-,16+,17-,20-/m1/s1 |
| InChI Key | HGCYKZMJUGVUQS-HLIGTUJASA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H24O6 |
| Molecular Weight | 360.40 g/mol |
| Exact Mass | 360.15728848 g/mol |
| Topological Polar Surface Area (TPSA) | 82.20 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
![2D Structure of [(1R,3R,5R,8E,11S)-9-formyl-14-methylidene-13-oxo-4,12-dioxatricyclo[9.3.0.03,5]tetradec-8-en-5-yl]methyl 3-methylbut-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/6a626db0-861f-11ee-9211-bd14e8e9e720.jpg "2D Structure of [(1R,3R,5R,8E,11S)-9-formyl-14-methylidene-13-oxo-4,12-dioxatricyclo[9.3.0.03,5]tetradec-8-en-5-yl]methyl 3-methylbut-2-enoate")
| 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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.64% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.02% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.58% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.20% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.46% | 97.25% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.71% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.20% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.50% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.60% | 86.33% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 89.48% | 98.03% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 86.52% | 91.24% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 85.35% | 96.61% |
| CHEMBL5028 | O14672 | ADAM10 | 84.95% | 97.50% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.91% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.84% | 89.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.17% | 90.17% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.87% | 95.50% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.73% | 94.73% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.00% | 93.03% |
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.
| Mikania thapsoides |
| PubChem | 11132132 |
| LOTUS | LTS0074275 |
| wikiData | Q105027692 |