N-[5-(diaminomethylideneamino)-1-hydroxypentan-2-yl]-1-[2-[[2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]-4-methylpyrrolidine-2-carboxamide
| Internal ID | 0e718610-9834-4f34-8d1a-ca468696999b |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > N-acyl-alpha amino acids and derivatives |
| IUPAC Name | N-[5-(diaminomethylideneamino)-1-hydroxypentan-2-yl]-1-[2-[[2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]-4-methylpyrrolidine-2-carboxamide |
| SMILES (Canonical) | CC1CC(N(C1)C(=O)C(CCC2=CC=C(C=C2)O)NC(=O)C(CC3=CC=C(C=C3)O)O)C(=O)NC(CCCN=C(N)N)CO |
| SMILES (Isomeric) | CC1CC(N(C1)C(=O)C(CCC2=CC=C(C=C2)O)NC(=O)C(CC3=CC=C(C=C3)O)O)C(=O)NC(CCCN=C(N)N)CO |
| InChI | InChI=1S/C31H44N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(13-8-20-4-9-23(39)10-5-20)36-29(43)27(41)16-21-6-11-24(40)12-7-21/h4-7,9-12,19,22,25-27,38-41H,2-3,8,13-18H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34) |
| InChI Key | LRHLULGPZSFCCN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C31H44N6O7 |
| Molecular Weight | 612.70 g/mol |
| Exact Mass | 612.32714776 g/mol |
| Topological Polar Surface Area (TPSA) | 224.00 Ų |
| XlogP | 0.90 |
| There are no found synonyms. |
![2D Structure of N-[5-(diaminomethylideneamino)-1-hydroxypentan-2-yl]-1-[2-[[2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]-4-methylpyrrolidine-2-carboxamide](https://plantaedb.com/storage/docs/compounds/2023/11/8185ddf0-82b4-11ee-ba5b-e3220d8d7bc2.jpg "2D Structure of N-[5-(diaminomethylideneamino)-1-hydroxypentan-2-yl]-1-[2-[[2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]-4-methylpyrrolidine-2-carboxamide")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.53% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 99.20% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 96.34% | 97.09% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 96.06% | 97.21% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 95.12% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.64% | 94.45% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 94.40% | 90.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.36% | 99.17% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 94.35% | 96.95% |
| CHEMBL233 | P35372 | Mu opioid receptor | 94.16% | 97.93% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.86% | 91.11% |
| CHEMBL5939 | Q9NZ08 | Endoplasmic reticulum aminopeptidase 1 | 93.73% | 100.00% |
| CHEMBL2431 | P31751 | Serine/threonine-protein kinase AKT2 | 92.85% | 98.33% |
| CHEMBL236 | P41143 | Delta opioid receptor | 92.67% | 99.35% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 92.01% | 95.89% |
| CHEMBL3837 | P07711 | Cathepsin L | 91.89% | 96.61% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 90.65% | 90.20% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.03% | 95.89% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.86% | 91.19% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 88.77% | 82.69% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 88.41% | 98.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.95% | 95.56% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 87.73% | 100.00% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 87.04% | 92.29% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.67% | 98.75% |
| CHEMBL4777 | P25929 | Neuropeptide Y receptor type 1 | 86.39% | 96.67% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 86.26% | 94.66% |
| CHEMBL4816 | Q9Y243 | Serine/threonine-protein kinase AKT3 | 86.08% | 96.28% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 85.22% | 93.10% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.13% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.91% | 93.56% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 84.22% | 100.00% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 84.11% | 94.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.38% | 97.25% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.46% | 86.33% |
| CHEMBL4101 | P17612 | cAMP-dependent protein kinase alpha-catalytic subunit | 82.17% | 82.86% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 81.67% | 91.81% |
| CHEMBL4578 | Q14680 | Maternal embryonic leucine zipper kinase | 81.39% | 81.58% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 81.13% | 85.00% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 80.96% | 97.64% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 80.95% | 95.58% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 80.29% | 97.23% |
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 | 78074274 |
| LOTUS | LTS0130586 |
| wikiData | Q104171238 |