FR220897
| Internal ID | cbc6eb93-9712-4a38-bb42-33e3cad7de09 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Oligopeptides |
| IUPAC Name | [4-[2-[3-(3-amino-1-hydroxy-3-oxopropyl)-18-(hexadecanoylamino)-11,20,21,25-tetrahydroxy-15-(1-hydroxyethyl)-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-6-yl]-2-hydroxyethyl]-2-hydroxyphenyl] hydrogen sulfate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C51H82N8O20S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-39(67)53-31-23-36(65)47(71)57-49(73)43-44(68)27(2)25-59(43)51(75)42(35(64)24-38(52)66)56-48(72)41(34(63)21-29-18-19-37(33(62)20-29)79-80(76,77)78)55-46(70)32-22-30(61)26-58(32)50(74)40(28(3)60)54-45(31)69/h18-20,27-28,30-32,34-36,40-44,47,60-65,68,71H,4-17,21-26H2,1-3H3,(H2,52,66)(H,53,67)(H,54,69)(H,55,70)(H,56,72)(H,57,73)(H,76,77,78) |
| InChI Key | GFEXQVWXQYCVIC-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C51H82N8O20S |
| Molecular Weight | 1159.30 g/mol |
| Exact Mass | 1158.53660821 g/mol |
| Topological Polar Surface Area (TPSA) | 463.00 Ų |
| XlogP | 1.60 |
| [4-[2-[3-(3-Amino-1-hydroxy-3-oxopropyl)-18-(hexadecanoylamino)-11,20,21,25-tetrahydroxy-15-(1-hydroxyethyl)-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-6-yl]-2-hydroxyethyl]-2-hydroxyphenyl] hydrogen sulfate |
| 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 | 99.81% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.72% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.19% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.01% | 99.17% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 96.84% | 90.71% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 96.04% | 97.09% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 94.46% | 92.08% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.37% | 91.11% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 92.92% | 82.69% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.32% | 95.56% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 90.40% | 92.86% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 89.98% | 100.00% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 89.44% | 95.00% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 89.41% | 91.03% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 89.25% | 96.90% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 88.97% | 98.59% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.83% | 91.19% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.69% | 95.89% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 88.39% | 92.88% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.24% | 98.75% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.88% | 95.89% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 86.15% | 96.61% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 85.93% | 82.38% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.83% | 96.95% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 84.66% | 93.03% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 83.79% | 97.64% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 83.74% | 96.25% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.59% | 97.14% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 83.36% | 80.33% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 83.14% | 94.66% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.13% | 94.33% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.73% | 95.50% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 82.41% | 94.00% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 82.32% | 96.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.05% | 89.50% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 81.87% | 92.50% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.34% | 96.47% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.97% | 97.21% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 80.65% | 96.38% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.16% | 96.00% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 80.06% | 90.08% |
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 | 9898376 |
| LOTUS | LTS0074930 |
| wikiData | Q75057191 |