N-[3-(3-amino-1-hydroxy-3-oxopropyl)-11,20,25-trihydroxy-15-(1-hydroxyethyl)-6-[1-hydroxy-2-(4-hydroxyphenyl)ethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]-10,12-dimethyltetradecanamide
| Internal ID | 1f117bc8-c485-40c6-a89a-f517b52ca92b |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Cyclic peptides |
| IUPAC Name | N-[3-(3-amino-1-hydroxy-3-oxopropyl)-11,20,25-trihydroxy-15-(1-hydroxyethyl)-6-[1-hydroxy-2-(4-hydroxyphenyl)ethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]-10,12-dimethyltetradecanamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C51H82N8O15/c1-6-27(2)19-28(3)13-11-9-7-8-10-12-14-40(67)54-35-21-33(62)24-53-49(72)44-45(68)29(4)25-59(44)51(74)43(38(65)23-39(52)66)57-48(71)42(37(64)20-31-15-17-32(61)18-16-31)56-47(70)36-22-34(63)26-58(36)50(73)41(30(5)60)55-46(35)69/h15-18,27-30,33-38,41-45,60-65,68H,6-14,19-26H2,1-5H3,(H2,52,66)(H,53,72)(H,54,67)(H,55,69)(H,56,70)(H,57,71) |
| InChI Key | PMBUXEBEPGKBPM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C51H82N8O15 |
| Molecular Weight | 1047.20 g/mol |
| Exact Mass | 1046.58996394 g/mol |
| Topological Polar Surface Area (TPSA) | 371.00 Ų |
| XlogP | 2.50 |
| There are no found synonyms. |
![2D Structure of N-[3-(3-amino-1-hydroxy-3-oxopropyl)-11,20,25-trihydroxy-15-(1-hydroxyethyl)-6-[1-hydroxy-2-(4-hydroxyphenyl)ethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]-10,12-dimethyltetradecanamide](https://plantaedb.com/storage/docs/compounds/2023/11/007afe70-868c-11ee-bd20-798e09ea0e5f.jpg "2D Structure of N-[3-(3-amino-1-hydroxy-3-oxopropyl)-11,20,25-trihydroxy-15-(1-hydroxyethyl)-6-[1-hydroxy-2-(4-hydroxyphenyl)ethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]-10,12-dimethyltetradecanamide")
| 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 | 99.86% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.56% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 97.55% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.90% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.77% | 99.17% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 96.11% | 90.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.11% | 94.45% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 94.61% | 97.79% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 92.49% | 90.17% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 92.17% | 98.59% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 92.04% | 90.08% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 91.83% | 95.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 90.30% | 98.75% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 89.55% | 100.00% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 89.08% | 100.00% |
| CHEMBL1907589 | P17787 | Neuronal acetylcholine receptor; alpha4/beta2 | 87.55% | 94.55% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 87.13% | 94.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.01% | 95.89% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 86.91% | 97.23% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 86.31% | 90.93% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.90% | 93.56% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 85.37% | 82.69% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 85.34% | 93.00% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 85.11% | 98.03% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 84.25% | 98.05% |
| CHEMBL1075317 | P61964 | WD repeat-containing protein 5 | 84.11% | 96.33% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 83.87% | 92.86% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.60% | 95.89% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.42% | 97.25% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 82.26% | 96.47% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 82.24% | 85.00% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 81.94% | 100.00% |
| CHEMBL4296 | Q15858 | Sodium channel protein type IX alpha subunit | 81.80% | 96.11% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 81.79% | 94.66% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 81.28% | 94.45% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 80.99% | 82.38% |
| CHEMBL204 | P00734 | Thrombin | 80.80% | 96.01% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.67% | 95.56% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.57% | 91.19% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.45% | 89.00% |
| CHEMBL256 | P0DMS8 | Adenosine A3 receptor | 80.06% | 95.93% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 80.00% | 96.61% |
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 | 163053001 |
| LOTUS | LTS0069813 |
| wikiData | Q104195009 |