2-Ethylidene-8,15-bis[2-(4-hydroxyphenyl)ethyl]-18-(6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl)-5,19-dimethyl-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
| Internal ID | 62519089-54b3-4ee9-ab49-6edc3f483044 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Hybrid peptides |
| IUPAC Name | 2-ethylidene-8,15-bis[2-(4-hydroxyphenyl)ethyl]-18-(6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl)-5,19-dimethyl-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid |
| SMILES (Canonical) | CC=C1C(=O)NC(C(=O)NC(C(=O)NC(CC(=O)NC(C(=O)NC(C(C(=O)NC(CCC(=O)N1)C(=O)O)C)C=CC(=CC(C)C(CC2=CC=CC=C2)OC)C)CCC3=CC=C(C=C3)O)C(=O)O)CCC4=CC=C(C=C4)O)C |
| SMILES (Isomeric) | CC=C1C(=O)NC(C(=O)NC(C(=O)NC(CC(=O)NC(C(=O)NC(C(C(=O)NC(CCC(=O)N1)C(=O)O)C)C=CC(=CC(C)C(CC2=CC=CC=C2)OC)C)CCC3=CC=C(C=C3)O)C(=O)O)CCC4=CC=C(C=C4)O)C |
| InChI | InChI=1S/C56H71N7O14/c1-7-41-52(70)57-35(5)51(69)61-44(26-19-37-16-22-40(65)23-17-37)54(72)63-46(56(75)76)31-49(67)59-43(25-18-36-14-20-39(64)21-15-36)53(71)60-42(34(4)50(68)62-45(55(73)74)27-28-48(66)58-41)24-13-32(2)29-33(3)47(77-6)30-38-11-9-8-10-12-38/h7-17,20-24,29,33-35,42-47,64-65H,18-19,25-28,30-31H2,1-6H3,(H,57,70)(H,58,66)(H,59,67)(H,60,71)(H,61,69)(H,62,68)(H,63,72)(H,73,74)(H,75,76) |
| InChI Key | DGGUSUVUIGDKFF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C56H71N7O14 |
| Molecular Weight | 1066.20 g/mol |
| Exact Mass | 1065.50589996 g/mol |
| Topological Polar Surface Area (TPSA) | 328.00 Ų |
| XlogP | 4.80 |
| There are no found synonyms. |
![2D Structure of 2-Ethylidene-8,15-bis[2-(4-hydroxyphenyl)ethyl]-18-(6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl)-5,19-dimethyl-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/f6aada70-8490-11ee-b0dd-99c29a5679c8.jpg "2D Structure of 2-Ethylidene-8,15-bis[2-(4-hydroxyphenyl)ethyl]-18-(6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl)-5,19-dimethyl-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 99.71% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.53% | 96.09% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 97.24% | 91.71% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.07% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.61% | 94.45% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 95.50% | 83.82% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.92% | 95.56% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 94.30% | 90.08% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 93.34% | 94.75% |
| CHEMBL233 | P35372 | Mu opioid receptor | 93.25% | 97.93% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.57% | 86.33% |
| CHEMBL301 | P24941 | Cyclin-dependent kinase 2 | 92.53% | 91.23% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 91.35% | 95.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.33% | 95.89% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 90.70% | 94.62% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 89.95% | 97.64% |
| CHEMBL2093869 | P05106 | Integrin alpha-IIb/beta-3 | 88.84% | 95.42% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.66% | 97.09% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 88.41% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.29% | 99.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.56% | 98.75% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.04% | 82.69% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.22% | 91.19% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.10% | 97.14% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 84.94% | 90.20% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 84.28% | 93.99% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.17% | 100.00% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 82.91% | 85.11% |
| CHEMBL236 | P41143 | Delta opioid receptor | 82.81% | 99.35% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 82.32% | 88.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.20% | 90.71% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 82.02% | 95.92% |
| CHEMBL211 | P08172 | Muscarinic acetylcholine receptor M2 | 81.90% | 94.97% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 162927484 |
| LOTUS | LTS0130243 |
| wikiData | Q103818361 |