6-methyl-2-(4-methylpent-3-enyl)-9-(5-oxo-2H-furan-3-yl)non-6-enoic acid
| Internal ID | 2ac82c15-ea29-4b14-9ce2-7a9879d372eb |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
| IUPAC Name | 6-methyl-2-(4-methylpent-3-enyl)-9-(5-oxo-2H-furan-3-yl)non-6-enoic acid |
| SMILES (Canonical) | CC(=CCCC(CCCC(=CCCC1=CC(=O)OC1)C)C(=O)O)C |
| SMILES (Isomeric) | CC(=CCCC(CCCC(=CCCC1=CC(=O)OC1)C)C(=O)O)C |
| InChI | InChI=1S/C20H30O4/c1-15(2)7-4-11-18(20(22)23)12-6-9-16(3)8-5-10-17-13-19(21)24-14-17/h7-8,13,18H,4-6,9-12,14H2,1-3H3,(H,22,23) |
| InChI Key | LLMRKBRNUSCSLE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H30O4 |
| Molecular Weight | 334.40 g/mol |
| Exact Mass | 334.21440943 g/mol |
| Topological Polar Surface Area (TPSA) | 63.60 Ų |
| XlogP | 4.60 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.83% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.82% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.40% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.90% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.82% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.82% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.71% | 86.33% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.48% | 93.56% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 86.15% | 92.08% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.05% | 90.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.94% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.18% | 89.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.67% | 100.00% |
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.
| Baccharis ochracea |
| PubChem | 162894902 |
| LOTUS | LTS0135371 |
| wikiData | Q105153574 |