10-[(3-Chloro-4-methoxyphenyl)methyl]-14-(2-hydroxy-3-methyl-5-phenylpent-4-enyl)-6-methyl-3-(2-methylpropyl)-1,4-dioxa-8,11-diazacyclotetradecane-2,5,9,12-tetrone
| Internal ID | dbbba1d3-1f8f-4482-96a0-5f86d5a74d02 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Hybrid peptides |
| IUPAC Name | 10-[(3-chloro-4-methoxyphenyl)methyl]-14-(2-hydroxy-3-methyl-5-phenylpent-4-enyl)-6-methyl-3-(2-methylpropyl)-1,4-dioxa-8,11-diazacyclotetradecane-2,5,9,12-tetrone |
| SMILES (Canonical) | CC1CNC(=O)C(NC(=O)CC(OC(=O)C(OC1=O)CC(C)C)CC(C(C)C=CC2=CC=CC=C2)O)CC3=CC(=C(C=C3)OC)Cl |
| SMILES (Isomeric) | CC1CNC(=O)C(NC(=O)CC(OC(=O)C(OC1=O)CC(C)C)CC(C(C)C=CC2=CC=CC=C2)O)CC3=CC(=C(C=C3)OC)Cl |
| InChI | InChI=1S/C35H45ClN2O8/c1-21(2)15-31-35(43)45-26(18-29(39)22(3)11-12-24-9-7-6-8-10-24)19-32(40)38-28(33(41)37-20-23(4)34(42)46-31)17-25-13-14-30(44-5)27(36)16-25/h6-14,16,21-23,26,28-29,31,39H,15,17-20H2,1-5H3,(H,37,41)(H,38,40) |
| InChI Key | JVTODUXHSHCQOJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C35H45ClN2O8 |
| Molecular Weight | 657.20 g/mol |
| Exact Mass | 656.2864441 g/mol |
| Topological Polar Surface Area (TPSA) | 140.00 Ų |
| XlogP | 6.00 |
| There are no found synonyms. |
![2D Structure of 10-[(3-Chloro-4-methoxyphenyl)methyl]-14-(2-hydroxy-3-methyl-5-phenylpent-4-enyl)-6-methyl-3-(2-methylpropyl)-1,4-dioxa-8,11-diazacyclotetradecane-2,5,9,12-tetrone](https://plantaedb.com/storage/docs/compounds/2023/11/565f09f0-84f1-11ee-ab5b-09644be8786d.jpg "2D Structure of 10-[(3-Chloro-4-methoxyphenyl)methyl]-14-(2-hydroxy-3-methyl-5-phenylpent-4-enyl)-6-methyl-3-(2-methylpropyl)-1,4-dioxa-8,11-diazacyclotetradecane-2,5,9,12-tetrone")
| 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 | 98.80% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.52% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.26% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.03% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.65% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.56% | 91.11% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 94.34% | 93.99% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 94.07% | 96.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.46% | 95.56% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 92.55% | 95.50% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 91.98% | 96.09% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 90.76% | 89.44% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.26% | 94.73% |
| CHEMBL5957 | P21589 | 5'-nucleotidase | 89.82% | 97.78% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 88.23% | 97.14% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.44% | 94.75% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.37% | 97.25% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.35% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.78% | 97.09% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 84.77% | 89.67% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.46% | 98.75% |
| CHEMBL5896 | O75164 | Lysine-specific demethylase 4A | 84.04% | 99.09% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 83.78% | 90.20% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.45% | 99.17% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.77% | 92.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.23% | 89.00% |
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 | 73208941 |
| LOTUS | LTS0009927 |
| wikiData | Q105135949 |