Marihysin A
| Internal ID | e2772df1-e528-4679-aad4-acafcb281fae |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Hybrid peptides |
| IUPAC Name | 3-[6,12,18-tris(2-amino-2-oxoethyl)-9-(hydroxymethyl)-15-[(4-hydroxyphenyl)methyl]-2,5,8,11,14,17,20,24-octaoxo-22-undecyl-1,4,7,10,13,16,19,23-octazabicyclo[23.3.0]octacosan-3-yl]propanamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C48H74N12O14/c1-2-3-4-5-6-7-8-9-10-12-28-22-41(67)54-32(23-38(50)64)43(69)56-31(21-27-14-16-29(62)17-15-27)42(68)57-34(25-40(52)66)45(71)59-35(26-61)46(72)58-33(24-39(51)65)44(70)55-30(18-19-37(49)63)48(74)60-20-11-13-36(60)47(73)53-28/h14-17,28,30-36,61-62H,2-13,18-26H2,1H3,(H2,49,63)(H2,50,64)(H2,51,65)(H2,52,66)(H,53,73)(H,54,67)(H,55,70)(H,56,69)(H,57,68)(H,58,72)(H,59,71) |
| InChI Key | PKVQGSJLTUPLBO-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C48H74N12O14 |
| Molecular Weight | 1043.20 g/mol |
| Exact Mass | 1042.54474508 g/mol |
| Topological Polar Surface Area (TPSA) | 437.00 Ų |
| XlogP | -1.60 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 99.78% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.93% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.42% | 94.45% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 97.11% | 82.38% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.83% | 97.25% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 96.33% | 100.00% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 95.42% | 97.64% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.32% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 95.32% | 95.89% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 95.04% | 90.08% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.87% | 91.11% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 93.42% | 92.97% |
| CHEMBL3230 | O95977 | Sphingosine 1-phosphate receptor Edg-6 | 92.96% | 94.01% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 92.72% | 97.29% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.92% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.83% | 99.17% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 90.15% | 95.50% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 89.43% | 93.00% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 89.41% | 91.81% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 89.40% | 97.05% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.92% | 90.71% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.30% | 82.69% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.09% | 92.94% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 85.45% | 95.62% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 85.16% | 97.79% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 85.08% | 95.00% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 84.20% | 92.86% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.47% | 86.33% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 80.99% | 85.00% |
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 | 75581877 |
| LOTUS | LTS0232261 |
| wikiData | Q75056918 |