[3-Hydroxy-9-(hydroxymethyl)-14-methylidene-13-oxo-5,12-dioxatricyclo[9.3.0.04,6]tetradec-8-en-4-yl]methyl 3-methylbut-2-enoate
Internal ID | fb4d1c27-e4d2-46a8-8a40-c8cce2bfc73a |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Sesquiterpene lactones > Germacranolides and derivatives |
IUPAC Name | [3-hydroxy-9-(hydroxymethyl)-14-methylidene-13-oxo-5,12-dioxatricyclo[9.3.0.04,6]tetradec-8-en-4-yl]methyl 3-methylbut-2-enoate |
SMILES (Canonical) | CC(=CC(=O)OCC12C(O1)CC=C(CC3C(CC2O)C(=C)C(=O)O3)CO)C |
SMILES (Isomeric) | CC(=CC(=O)OCC12C(O1)CC=C(CC3C(CC2O)C(=C)C(=O)O3)CO)C |
InChI | InChI=1S/C20H26O7/c1-11(2)6-18(23)25-10-20-16(22)8-14-12(3)19(24)26-15(14)7-13(9-21)4-5-17(20)27-20/h4,6,14-17,21-22H,3,5,7-10H2,1-2H3 |
InChI Key | TXEWHWXQOYTVAZ-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C20H26O7 |
Molecular Weight | 378.40 g/mol |
Exact Mass | 378.16785316 g/mol |
Topological Polar Surface Area (TPSA) | 106.00 Ų |
XlogP | 1.10 |
There are no found synonyms. |
![2D Structure of [3-Hydroxy-9-(hydroxymethyl)-14-methylidene-13-oxo-5,12-dioxatricyclo[9.3.0.04,6]tetradec-8-en-4-yl]methyl 3-methylbut-2-enoate 2D Structure of [3-Hydroxy-9-(hydroxymethyl)-14-methylidene-13-oxo-5,12-dioxatricyclo[9.3.0.04,6]tetradec-8-en-4-yl]methyl 3-methylbut-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/9d33f5c0-85f6-11ee-897f-6fdc5073ed07.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 |
---|---|---|---|---|
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.01% | 94.45% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.58% | 97.25% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.40% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.27% | 96.09% |
CHEMBL299 | P17252 | Protein kinase C alpha | 92.08% | 98.03% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.07% | 85.14% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.53% | 97.09% |
CHEMBL2996 | Q05655 | Protein kinase C delta | 89.81% | 97.79% |
CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 89.33% | 96.61% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.96% | 95.56% |
CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 85.72% | 89.34% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.66% | 89.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.60% | 86.33% |
CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 84.59% | 91.24% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.16% | 91.19% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.12% | 95.50% |
CHEMBL2581 | P07339 | Cathepsin D | 81.93% | 98.95% |
CHEMBL5028 | O14672 | ADAM10 | 81.23% | 97.50% |
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 | 85322767 |
LOTUS | LTS0163410 |
wikiData | Q105266695 |