C1-13 thermocryptoxanthin-13
| Internal ID | ecdc3bf7-506d-45c2-8257-0b2293bbfcd2 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Tetraterpenoids > Carotenoids > Xanthophylls |
| IUPAC Name | [3,4,5-trihydroxy-6-[(1R)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl]oxyoxan-2-yl]methyl 11-methyldodecanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C59H90O7/c1-42(2)25-18-16-14-13-15-17-19-33-53(60)64-41-52-54(61)55(62)56(63)57(66-52)65-49-39-48(8)51(59(11,12)40-49)37-35-46(6)31-23-29-44(4)27-21-20-26-43(3)28-22-30-45(5)34-36-50-47(7)32-24-38-58(50,9)10/h20-23,26-31,34-37,42,49,52,54-57,61-63H,13-19,24-25,32-33,38-41H2,1-12H3/b21-20+,28-22+,29-23+,36-34+,37-35+,43-26+,44-27+,45-30+,46-31+/t49-,52?,54?,55?,56?,57?/m1/s1 |
| InChI Key | JEEGARLDXJKPPW-FQWACESYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C59H90O7 |
| Molecular Weight | 911.30 g/mol |
| Exact Mass | 910.66865521 g/mol |
| Topological Polar Surface Area (TPSA) | 105.00 Ų |
| XlogP | 16.10 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.31% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.45% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.95% | 94.45% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 94.47% | 96.47% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.80% | 98.95% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 93.52% | 94.75% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 92.99% | 95.92% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 92.86% | 95.50% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.47% | 99.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 90.11% | 96.00% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 90.11% | 91.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.36% | 89.00% |
| CHEMBL2061 | P19793 | Retinoid X receptor alpha | 89.31% | 91.67% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.20% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.14% | 95.89% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.12% | 90.71% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 88.21% | 92.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.09% | 97.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.91% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.14% | 95.56% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 87.11% | 100.00% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 86.97% | 98.75% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 86.89% | 95.00% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 86.77% | 85.31% |
| CHEMBL1829 | O15379 | Histone deacetylase 3 | 86.70% | 95.00% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 86.33% | 98.10% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.97% | 93.56% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 85.94% | 89.63% |
| CHEMBL1870 | P28702 | Retinoid X receptor beta | 85.79% | 95.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 85.58% | 100.00% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 84.15% | 92.86% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 83.52% | 95.50% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.44% | 100.00% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 83.31% | 95.71% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 82.60% | 94.00% |
| CHEMBL5028 | O14672 | ADAM10 | 82.30% | 97.50% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.14% | 99.23% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 81.53% | 100.00% |
| CHEMBL2004 | P48443 | Retinoid X receptor gamma | 81.34% | 100.00% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 81.19% | 90.08% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 80.85% | 94.80% |
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 | 139586304 |
| LOTUS | LTS0059804 |
| wikiData | Q77503653 |