2-[[1-[3-Chloro-5-(diaminomethylideneamino)-4-hydroxy-2-[[4-hydroxy-3-(3-prop-1-en-2-ylquinolin-4-yl)benzoyl]amino]pentanoyl]-3-methylpyrrolidine-2-carbonyl]amino]-3-methylbut-2-enoic acid
| Internal ID | 0041c4a5-ccce-48e3-9a0d-1850f78def98 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Oligopeptides |
| IUPAC Name | 2-[[1-[3-chloro-5-(diaminomethylideneamino)-4-hydroxy-2-[[4-hydroxy-3-(3-prop-1-en-2-ylquinolin-4-yl)benzoyl]amino]pentanoyl]-3-methylpyrrolidine-2-carbonyl]amino]-3-methylbut-2-enoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C36H42ClN7O7/c1-17(2)23-15-40-24-9-7-6-8-21(24)27(23)22-14-20(10-11-25(22)45)32(47)43-30(28(37)26(46)16-41-36(38)39)34(49)44-13-12-19(5)31(44)33(48)42-29(18(3)4)35(50)51/h6-11,14-15,19,26,28,30-31,45-46H,1,12-13,16H2,2-5H3,(H,42,48)(H,43,47)(H,50,51)(H4,38,39,41) |
| InChI Key | ANYWIYLMLRVZRB-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C36H42ClN7O7 |
| Molecular Weight | 720.20 g/mol |
| Exact Mass | 719.2834244 g/mol |
| Topological Polar Surface Area (TPSA) | 234.00 Ų |
| XlogP | 3.60 |
| There are no found synonyms. |
![2D Structure of 2-[[1-[3-Chloro-5-(diaminomethylideneamino)-4-hydroxy-2-[[4-hydroxy-3-(3-prop-1-en-2-ylquinolin-4-yl)benzoyl]amino]pentanoyl]-3-methylpyrrolidine-2-carbonyl]amino]-3-methylbut-2-enoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/b9ba1e90-82b1-11ee-9db1-c98803985e2e.jpg "2D Structure of 2-[[1-[3-Chloro-5-(diaminomethylideneamino)-4-hydroxy-2-[[4-hydroxy-3-(3-prop-1-en-2-ylquinolin-4-yl)benzoyl]amino]pentanoyl]-3-methylpyrrolidine-2-carbonyl]amino]-3-methylbut-2-enoic acid")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.37% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.57% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.55% | 98.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 96.68% | 90.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 95.75% | 98.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.16% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 93.11% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.23% | 95.56% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 90.77% | 97.53% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.77% | 89.00% |
| CHEMBL3902 | P09211 | Glutathione S-transferase Pi | 90.60% | 93.81% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 90.13% | 97.21% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 89.83% | 91.49% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 87.13% | 98.33% |
| CHEMBL5028 | O14672 | ADAM10 | 85.32% | 97.50% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.79% | 99.17% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.22% | 100.00% |
| CHEMBL4361 | Q07820 | Induced myeloid leukemia cell differentiation protein Mcl-1 | 84.09% | 95.52% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.06% | 96.00% |
| CHEMBL1944495 | P28065 | Proteasome subunit beta type-9 | 83.86% | 97.50% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.48% | 90.71% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 82.45% | 99.18% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 81.85% | 94.42% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.80% | 93.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.42% | 97.09% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 81.30% | 93.10% |
| CHEMBL1741221 | Q9Y4P1 | Cysteine protease ATG4B | 80.70% | 87.50% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 80.11% | 96.67% |
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 | 135466919 |
| LOTUS | LTS0106776 |
| wikiData | Q100154136 |