15-Butan-2-yl-8-[[4-(2-chloro-3-methylbut-3-enoxy)phenyl]methyl]-12,30-dimethyl-13,35-dioxa-6,9,16,22,28,31,36,37-octazahexacyclo[31.2.1.111,14.02,6.018,22.024,28]heptatriaconta-1(36),11,14(37),33-tetraene-7,10,17,23,29,32-hexone
| Internal ID | 06af51ed-3f8c-4442-bf09-1c4de54c48cd |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Oligopeptides |
| IUPAC Name | 15-butan-2-yl-8-[[4-(2-chloro-3-methylbut-3-enoxy)phenyl]methyl]-12,30-dimethyl-13,35-dioxa-6,9,16,22,28,31,36,37-octazahexacyclo[31.2.1.111,14.02,6.018,22.024,28]heptatriaconta-1(36),11,14(37),33-tetraene-7,10,17,23,29,32-hexone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C45H57ClN8O9/c1-7-25(4)36-42-51-37(27(6)63-42)40(57)48-31(21-28-14-16-29(17-15-28)61-22-30(46)24(2)3)44(59)53-19-9-12-34(53)41-49-32(23-62-41)38(55)47-26(5)43(58)54-20-10-13-35(54)45(60)52-18-8-11-33(52)39(56)50-36/h14-17,23,25-26,30-31,33-36H,2,7-13,18-22H2,1,3-6H3,(H,47,55)(H,48,57)(H,50,56) |
| InChI Key | LYBGOXOXOHEVGK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C45H57ClN8O9 |
| Molecular Weight | 889.40 g/mol |
| Exact Mass | 888.3937031 g/mol |
| Topological Polar Surface Area (TPSA) | 210.00 Ų |
| XlogP | 5.00 |
| There are no found synonyms. |
![2D Structure of 15-Butan-2-yl-8-[[4-(2-chloro-3-methylbut-3-enoxy)phenyl]methyl]-12,30-dimethyl-13,35-dioxa-6,9,16,22,28,31,36,37-octazahexacyclo[31.2.1.111,14.02,6.018,22.024,28]heptatriaconta-1(36),11,14(37),33-tetraene-7,10,17,23,29,32-hexone](https://plantaedb.com/storage/docs/compounds/2023/11/ded25280-85cb-11ee-835d-2960eda7449c.jpg "2D Structure of 15-Butan-2-yl-8-[[4-(2-chloro-3-methylbut-3-enoxy)phenyl]methyl]-12,30-dimethyl-13,35-dioxa-6,9,16,22,28,31,36,37-octazahexacyclo[31.2.1.111,14.02,6.018,22.024,28]heptatriaconta-1(36),11,14(37),33-tetraene-7,10,17,23,29,32-hexone")
| 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 |
|---|---|---|---|---|
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 99.44% | 97.53% |
| CHEMBL2581 | P07339 | Cathepsin D | 99.38% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 97.44% | 94.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 97.35% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.25% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.79% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.74% | 96.09% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 93.53% | 99.18% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 93.18% | 95.89% |
| CHEMBL1801 | P00747 | Plasminogen | 92.11% | 92.44% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 91.65% | 93.65% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.31% | 99.17% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 91.11% | 93.00% |
| CHEMBL6175 | Q9H3R0 | Lysine-specific demethylase 4C | 89.44% | 96.69% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 89.37% | 95.34% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 87.46% | 94.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.20% | 97.25% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 87.05% | 97.64% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.80% | 90.71% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 86.71% | 82.38% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 86.06% | 96.09% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 85.80% | 90.08% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.45% | 94.73% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 85.43% | 92.68% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.71% | 85.14% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 84.45% | 92.97% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.97% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.91% | 90.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.33% | 95.50% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 82.32% | 96.39% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 81.59% | 89.34% |
| CHEMBL3691 | Q13822 | Autotaxin | 81.04% | 96.39% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 80.95% | 91.11% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 80.94% | 96.31% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.60% | 100.00% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 80.45% | 97.50% |
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 | 72760171 |
| LOTUS | LTS0079493 |
| wikiData | Q105159206 |