(2E,4E,6E,10E,12R,13R,14R,15S,16E,18E,20E,22E,24E,26E,29S,30R,33R,35S,36E,39S,41S,43R,44E,47S,49R,50E,53S,55R)-58-amino-13,15,29,33,35,39,41,43,47,49,53,55-dodecahydroxy-2,12,14,30-tetramethyl-31-oxooctapentaconta-2,4,6,10,16,18,20,22,24,26,36,44,50-tridecaenoic acid
| Internal ID | bbbdabc9-eb4e-4fcb-be54-d24e1a2cf8d8 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Very long-chain fatty acids |
| IUPAC Name | (2E,4E,6E,10E,12R,13R,14R,15S,16E,18E,20E,22E,24E,26E,29S,30R,33R,35S,36E,39S,41S,43R,44E,47S,49R,50E,53S,55R)-58-amino-13,15,29,33,35,39,41,43,47,49,53,55-dodecahydroxy-2,12,14,30-tetramethyl-31-oxooctapentaconta-2,4,6,10,16,18,20,22,24,26,36,44,50-tridecaenoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C62H97NO15/c1-45(27-19-15-11-10-12-16-20-28-46(2)62(77)78)61(76)48(4)59(74)37-22-18-14-9-7-5-6-8-13-17-21-36-58(73)47(3)60(75)44-57(72)43-54(69)34-25-33-53(68)42-56(71)41-52(67)32-24-31-50(65)39-49(64)29-23-30-51(66)40-55(70)35-26-38-63/h5-10,12-14,16-25,27-29,32,34,37,45,47-59,61,64-74,76H,11,15,26,30-31,33,35-36,38-44,63H2,1-4H3,(H,77,78)/b6-5+,9-7+,12-10+,13-8+,18-14+,20-16+,21-17+,27-19+,29-23+,32-24+,34-25+,37-22+,46-28+/t45-,47-,48-,49+,50+,51+,52+,53+,54-,55-,56-,57-,58+,59+,61-/m1/s1 |
| InChI Key | NVVJCDZZKMPNHL-MAIFOGEDSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C62H97NO15 |
| Molecular Weight | 1096.40 g/mol |
| Exact Mass | 1095.68582139 g/mol |
| Topological Polar Surface Area (TPSA) | 323.00 Ų |
| XlogP | 2.70 |
| 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 |
|---|---|---|---|---|
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 97.13% | 96.47% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.05% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.90% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.89% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.70% | 99.17% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 92.09% | 98.75% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 92.07% | 87.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.49% | 97.25% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 87.94% | 92.29% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.57% | 93.56% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 86.29% | 100.00% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 85.60% | 93.18% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 85.46% | 97.21% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.11% | 96.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 85.10% | 95.50% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 84.35% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.58% | 91.19% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 81.44% | 97.29% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 81.08% | 92.32% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.43% | 90.17% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 80.14% | 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 | 162843424 |
| LOTUS | LTS0100247 |
| wikiData | Q105186440 |