(4Z,20E,29E,31R)-19,31-dihydroxytritriaconta-4,20,29-trien-2,22,32-triynoic acid
| Internal ID | d59f87cd-dec7-41b7-91e7-33a66b1e679a |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Very long-chain fatty acids |
| IUPAC Name | (4Z,20E,29E,31R)-19,31-dihydroxytritriaconta-4,20,29-trien-2,22,32-triynoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C33H48O4/c1-2-31(34)27-23-19-15-12-10-13-17-21-25-29-32(35)28-24-20-16-11-8-6-4-3-5-7-9-14-18-22-26-30-33(36)37/h1,18,22-23,25,27,29,31-32,34-35H,3-16,19-20,24,28H2,(H,36,37)/b22-18-,27-23+,29-25+/t31-,32?/m0/s1 |
| InChI Key | NWDVAYGJUJJDIA-SFQCPHPRSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C33H48O4 |
| Molecular Weight | 508.70 g/mol |
| Exact Mass | 508.35526001 g/mol |
| Topological Polar Surface Area (TPSA) | 77.80 Ų |
| XlogP | 10.00 |
| (31R)(4Z,20E,29E)-19,31-Dihydroxytritriaconta-4,20,29-trien-2,22,32-triynoic acid |
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 97.08% | 83.82% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.98% | 99.17% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 94.85% | 90.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.09% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.87% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.52% | 98.95% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.21% | 96.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.86% | 95.50% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.87% | 100.00% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 80.91% | 100.00% |
| CHEMBL279 | P35968 | Vascular endothelial growth factor receptor 2 | 80.06% | 95.52% |
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 | 6478039 |
| LOTUS | LTS0040019 |
| wikiData | Q105186550 |