4,5,27,34,38,42,45-Heptahydroxy-21-oxoheptatetraconta-25,43-dien-2,32,35,46-tetraynoic acid
| Internal ID | 74c504a2-5c8d-4aff-971e-88cb3d4717ae |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Very long-chain fatty acids |
| IUPAC Name | 4,5,27,34,38,42,45-heptahydroxy-21-oxoheptatetraconta-25,43-dien-2,32,35,46-tetraynoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C47H72O10/c1-2-39(48)35-36-44(53)33-24-32-43(52)31-23-30-42(51)27-19-15-14-18-26-41(50)29-21-16-20-28-40(49)25-17-12-10-8-6-4-3-5-7-9-11-13-22-34-45(54)46(55)37-38-47(56)57/h1,21,29,35-36,39,41-46,48,50-55H,3-18,20,22,24-26,28,31-34H2,(H,56,57) |
| InChI Key | USYFRMJGFGCOEV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C47H72O10 |
| Molecular Weight | 797.10 g/mol |
| Exact Mass | 796.51254849 g/mol |
| Topological Polar Surface Area (TPSA) | 196.00 Ų |
| XlogP | 7.60 |
| 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 |
|---|---|---|---|---|
| CHEMBL1829 | O15379 | Histone deacetylase 3 | 96.08% | 95.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.72% | 99.17% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 94.12% | 89.63% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.98% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 93.93% | 90.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.49% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.48% | 91.11% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 87.71% | 95.92% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 87.34% | 98.75% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.52% | 95.50% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 86.42% | 95.17% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 85.60% | 97.36% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.77% | 94.73% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.31% | 96.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.29% | 93.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.19% | 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.
| There are no matching plants. |
| PubChem | 394642 |
| LOTUS | LTS0061332 |
| wikiData | Q105278576 |