Cyclo-(L-Pro-L-Tyr-L-Pro-Val-)
| Internal ID | df123c7a-80b2-4b1c-b80f-e5c9e30c9cc6 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Cyclic peptides |
| IUPAC Name | (3S,6S,12S,15S)-3-[(4-hydroxyphenyl)methyl]-12-propan-2-yl-1,4,10,13-tetrazatricyclo[13.3.0.06,10]octadecane-2,5,11,14-tetrone |
| SMILES (Canonical) | CC(C)C1C(=O)N2CCCC2C(=O)NC(C(=O)N3CCCC3C(=O)N1)CC4=CC=C(C=C4)O |
| SMILES (Isomeric) | CC(C)[C@H]1C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N3CCC[C@H]3C(=O)N1)CC4=CC=C(C=C4)O |
| InChI | InChI=1S/C24H32N4O5/c1-14(2)20-24(33)28-12-4-5-18(28)21(30)25-17(13-15-7-9-16(29)10-8-15)23(32)27-11-3-6-19(27)22(31)26-20/h7-10,14,17-20,29H,3-6,11-13H2,1-2H3,(H,25,30)(H,26,31)/t17-,18-,19-,20-/m0/s1 |
| InChI Key | HKYOVILVNXGWMH-MUGJNUQGSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C24H32N4O5 |
| Molecular Weight | 456.50 g/mol |
| Exact Mass | 456.23727013 g/mol |
| Topological Polar Surface Area (TPSA) | 119.00 Ų |
| XlogP | 1.80 |
| (3S,6S,12S,15S)-3-((4-hydroxyphenyl)methyl)-12-propan-2-yl-1,4,10,13-tetrazatricyclo(13.3.0.06,10)octadecane-2,5,11,14-tetrone |
| (3S,6S,12S,15S)-3-[(4-hydroxyphenyl)methyl]-12-propan-2-yl-1,4,10,13-tetrazatricyclo[13.3.0.06,10]octadecane-2,5,11,14-tetrone |
| RefChem:1082412 |
| cyclo(prolyltyrosylprolylvalyl) |
| CHEMBL5429559 |
| CHEBI:219575 |
| 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 | 99.64% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.07% | 96.09% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 97.21% | 90.08% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.19% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.97% | 85.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 94.81% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.66% | 97.09% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 92.50% | 90.93% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.90% | 95.56% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 90.32% | 92.97% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 90.23% | 82.38% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.46% | 90.71% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.41% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.61% | 91.11% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 86.62% | 97.05% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 85.24% | 99.18% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.79% | 100.00% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 84.62% | 88.56% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 84.33% | 97.64% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.41% | 95.89% |
| CHEMBL5896 | O75164 | Lysine-specific demethylase 4A | 82.79% | 99.09% |
| CHEMBL4616 | Q92847 | Ghrelin receptor | 82.65% | 92.00% |
| CHEMBL6175 | Q9H3R0 | Lysine-specific demethylase 4C | 81.86% | 96.69% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 81.42% | 91.76% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 81.13% | 93.40% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.78% | 94.75% |
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 | 10027074 |
| LOTUS | LTS0079051 |
| wikiData | Q76414986 |