13-Hydroxy-22-[[7-hydroxy-8-(4-hydroxyphenyl)-2-methyloct-4-enoyl]amino]-3-methoxy-2,4,9,19-tetramethyl-15-oxotricosa-4,6,8,10,16,18,20-heptaenoic acid
| Internal ID | 1eae62de-425d-4230-87cf-7b1ad8825cb2 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Very long-chain fatty acids |
| IUPAC Name | 13-hydroxy-22-[[7-hydroxy-8-(4-hydroxyphenyl)-2-methyloct-4-enoyl]amino]-3-methoxy-2,4,9,19-tetramethyl-15-oxotricosa-4,6,8,10,16,18,20-heptaenoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C43H59NO8/c1-30(14-8-9-17-32(3)41(52-7)35(6)43(50)51)15-12-20-39(47)29-40(48)21-13-16-31(2)22-23-34(5)44-42(49)33(4)18-10-11-19-38(46)28-36-24-26-37(45)27-25-36/h8-17,21-27,33-35,38-39,41,45-47H,18-20,28-29H2,1-7H3,(H,44,49)(H,50,51) |
| InChI Key | OLQJTQUNKZJRHG-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C43H59NO8 |
| Molecular Weight | 717.90 g/mol |
| Exact Mass | 717.42406784 g/mol |
| Topological Polar Surface Area (TPSA) | 153.00 Ų |
| XlogP | 7.80 |
| There are no found synonyms. |
![2D Structure of 13-Hydroxy-22-[[7-hydroxy-8-(4-hydroxyphenyl)-2-methyloct-4-enoyl]amino]-3-methoxy-2,4,9,19-tetramethyl-15-oxotricosa-4,6,8,10,16,18,20-heptaenoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/26e536e0-85b1-11ee-b60c-e7bb3f1bab5e.jpg "2D Structure of 13-Hydroxy-22-[[7-hydroxy-8-(4-hydroxyphenyl)-2-methyloct-4-enoyl]amino]-3-methoxy-2,4,9,19-tetramethyl-15-oxotricosa-4,6,8,10,16,18,20-heptaenoic 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.89% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.60% | 94.45% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 95.56% | 95.50% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.40% | 99.17% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 93.39% | 93.10% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 91.23% | 90.20% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.82% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.28% | 90.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 90.25% | 93.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.34% | 96.09% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.68% | 95.89% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 85.98% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.32% | 86.33% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 84.97% | 89.67% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.45% | 96.00% |
| CHEMBL211 | P08172 | Muscarinic acetylcholine receptor M2 | 82.88% | 94.97% |
| CHEMBL1944 | P08473 | Neprilysin | 82.21% | 92.63% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 81.56% | 90.93% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.16% | 90.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.15% | 98.75% |
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.
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| There are no matching plants. |
| PubChem | 162886941 |
| LOTUS | LTS0223517 |
| wikiData | Q104193495 |