1-hydroxy-1-[3-[14-(1H-indol-3-ylmethyl)-5,8-bis(2-methylpropyl)-3,6,9,12,15-pentaoxo-11-propan-2-yl-1,4,7,10,13-pentazacyclopentadec-2-yl]propyl]guanidine
| Internal ID | 2cc85805-3769-4674-9019-f92ce0a2b65b |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Oligopeptides |
| IUPAC Name | 1-hydroxy-1-[3-[14-(1H-indol-3-ylmethyl)-5,8-bis(2-methylpropyl)-3,6,9,12,15-pentaoxo-11-propan-2-yl-1,4,7,10,13-pentazacyclopentadec-2-yl]propyl]guanidine |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C34H53N9O6/c1-18(2)14-25-30(45)40-26(15-19(3)4)32(47)42-28(20(5)6)33(48)41-27(16-21-17-37-23-11-8-7-10-22(21)23)31(46)38-24(29(44)39-25)12-9-13-43(49)34(35)36/h7-8,10-11,17-20,24-28,37,49H,9,12-16H2,1-6H3,(H3,35,36)(H,38,46)(H,39,44)(H,40,45)(H,41,48)(H,42,47) |
| InChI Key | PSSGFWIIEZXSSX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C34H53N9O6 |
| Molecular Weight | 683.80 g/mol |
| Exact Mass | 683.41188044 g/mol |
| Topological Polar Surface Area (TPSA) | 235.00 Ų |
| XlogP | 2.90 |
| There are no found synonyms. |
![2D Structure of 1-hydroxy-1-[3-[14-(1H-indol-3-ylmethyl)-5,8-bis(2-methylpropyl)-3,6,9,12,15-pentaoxo-11-propan-2-yl-1,4,7,10,13-pentazacyclopentadec-2-yl]propyl]guanidine](https://plantaedb.com/storage/docs/compounds/2023/11/981b7d50-8616-11ee-b9d2-d9871f580c42.jpg "2D Structure of 1-hydroxy-1-[3-[14-(1H-indol-3-ylmethyl)-5,8-bis(2-methylpropyl)-3,6,9,12,15-pentaoxo-11-propan-2-yl-1,4,7,10,13-pentazacyclopentadec-2-yl]propyl]guanidine")
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.75% | 83.82% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.29% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.67% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.75% | 96.09% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 96.44% | 83.10% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.19% | 95.56% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 95.61% | 88.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 95.51% | 94.75% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 95.19% | 90.08% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 93.90% | 97.79% |
| CHEMBL1949 | P62937 | Cyclophilin A | 92.00% | 98.57% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.89% | 97.09% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 89.37% | 90.71% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 86.39% | 96.47% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 86.21% | 97.64% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 85.55% | 89.67% |
| CHEMBL3837 | P07711 | Cathepsin L | 84.91% | 96.61% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.26% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.10% | 94.73% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.71% | 92.62% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 81.69% | 95.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.68% | 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 | 162815710 |
| LOTUS | LTS0121411 |
| wikiData | Q104195381 |