Cystodienoic acid
| Internal ID | a008578b-5cd7-4df4-99a9-5240e0dc0ad5 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | (E)-5-[(1R,2S)-2-[(E)-3-carboxybut-2-enyl]-5-(2-hydroxypropan-2-yl)-2-methylcyclopentyl]-3-methylpent-2-enoic acid |
| SMILES (Canonical) | CC(=CC(=O)O)CCC1C(CCC1(C)CC=C(C)C(=O)O)C(C)(C)O |
| SMILES (Isomeric) | C/C(=C\C(=O)O)/CC[C@@H]1C(CC[C@@]1(C)C/C=C(\C)/C(=O)O)C(C)(C)O |
| InChI | InChI=1S/C20H32O5/c1-13(12-17(21)22)6-7-16-15(19(3,4)25)9-11-20(16,5)10-8-14(2)18(23)24/h8,12,15-16,25H,6-7,9-11H2,1-5H3,(H,21,22)(H,23,24)/b13-12+,14-8+/t15?,16-,20-/m1/s1 |
| InChI Key | KPQXJVQFJZUGRC-OYMROJHFSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H32O5 |
| Molecular Weight | 352.50 g/mol |
| Exact Mass | 352.22497412 g/mol |
| Topological Polar Surface Area (TPSA) | 94.80 Ų |
| XlogP | 4.10 |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.73% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.72% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.55% | 96.09% |
| CHEMBL2061 | P19793 | Retinoid X receptor alpha | 89.58% | 91.67% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 87.78% | 96.61% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 86.00% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.13% | 98.95% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.83% | 91.19% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.33% | 93.00% |
| CHEMBL1870 | P28702 | Retinoid X receptor beta | 82.09% | 95.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.42% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.85% | 100.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.48% | 95.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.21% | 89.00% |
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.
| There are no matching plants. |
| PubChem | 132557483 |
| LOTUS | LTS0080298 |
| wikiData | Q105144343 |