4-[2-[[2-[[2-[(2,3-dihydroxy-2,6,8-trimethyldeca-4,6-dienoyl)amino]acetyl]amino]-3-hydroxybutanoyl]amino]but-2-enoylamino]-N'-[6-(1-hydroxyethyl)-3-[(4-hydroxyphenyl)-methoxymethyl]-15-(methoxymethyl)-9-methyl-2,5,8,11,14,17,21-heptaoxo-19-propan-2-yl-20-oxa-1,4,7,10,13,16-hexazabicyclo[20.4.0]hexacosan-18-yl]-2,3-dimethylpentanediamide
| Internal ID | 8d79f77d-5b93-49aa-98e7-acf6a96dd397 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | 4-[2-[[2-[[2-[(2,3-dihydroxy-2,6,8-trimethyldeca-4,6-dienoyl)amino]acetyl]amino]-3-hydroxybutanoyl]amino]but-2-enoylamino]-N'-[6-(1-hydroxyethyl)-3-[(4-hydroxyphenyl)-methoxymethyl]-15-(methoxymethyl)-9-methyl-2,5,8,11,14,17,21-heptaoxo-19-propan-2-yl-20-oxa-1,4,7,10,13,16-hexazabicyclo[20.4.0]hexacosan-18-yl]-2,3-dimethylpentanediamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C65H100N12O21/c1-15-32(5)27-33(6)20-25-44(81)65(12,95)64(94)68-29-46(83)72-48(37(10)78)59(89)70-41(16-2)57(87)73-47(34(7)35(8)54(66)84)58(88)75-50-52(31(3)4)98-63(93)43-19-17-18-26-77(43)62(92)51(53(97-14)39-21-23-40(80)24-22-39)76-60(90)49(38(11)79)74-55(85)36(9)69-45(82)28-67-56(86)42(30-96-13)71-61(50)91/h16,20-25,27,31-32,34-38,42-44,47-53,78-81,95H,15,17-19,26,28-30H2,1-14H3,(H2,66,84)(H,67,86)(H,68,94)(H,69,82)(H,70,89)(H,71,91)(H,72,83)(H,73,87)(H,74,85)(H,75,88)(H,76,90) |
| InChI Key | JHMVDIYMGNHGMP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C65H100N12O21 |
| Molecular Weight | 1385.60 g/mol |
| Exact Mass | 1384.71259825 g/mol |
| Topological Polar Surface Area (TPSA) | 500.00 Ų |
| XlogP | 0.10 |
| There are no found synonyms. |
![2D Structure of 4-[2-[[2-[[2-[(2,3-dihydroxy-2,6,8-trimethyldeca-4,6-dienoyl)amino]acetyl]amino]-3-hydroxybutanoyl]amino]but-2-enoylamino]-N'-[6-(1-hydroxyethyl)-3-[(4-hydroxyphenyl)-methoxymethyl]-15-(methoxymethyl)-9-methyl-2,5,8,11,14,17,21-heptaoxo-19-propan-2-yl-20-oxa-1,4,7,10,13,16-hexazabicyclo[20.4.0]hexacosan-18-yl]-2,3-dimethylpentanediamide](https://plantaedb.com/storage/docs/compounds/2023/11/27d76650-862c-11ee-b8ba-5fdb55f70cd8.jpg "2D Structure of 4-[2-[[2-[[2-[(2,3-dihydroxy-2,6,8-trimethyldeca-4,6-dienoyl)amino]acetyl]amino]-3-hydroxybutanoyl]amino]but-2-enoylamino]-N'-[6-(1-hydroxyethyl)-3-[(4-hydroxyphenyl)-methoxymethyl]-15-(methoxymethyl)-9-methyl-2,5,8,11,14,17,21-heptaoxo-19-propan-2-yl-20-oxa-1,4,7,10,13,16-hexazabicyclo[20.4.0]hexacosan-18-yl]-2,3-dimethylpentanediamide")
| 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 | 99.85% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.68% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 99.39% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.39% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.88% | 85.14% |
| CHEMBL236 | P41143 | Delta opioid receptor | 98.33% | 99.35% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.36% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 96.20% | 97.09% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 93.92% | 89.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.85% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 93.61% | 95.89% |
| CHEMBL2073 | P07947 | Tyrosine-protein kinase YES | 93.17% | 83.14% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 92.96% | 90.08% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 92.42% | 90.93% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 91.88% | 82.38% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 90.75% | 92.97% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.30% | 94.73% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 90.26% | 91.03% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 90.13% | 97.14% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.72% | 98.75% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.86% | 99.23% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 88.67% | 83.10% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 88.51% | 100.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 88.21% | 94.33% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 87.29% | 96.25% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 86.80% | 98.59% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 86.78% | 93.00% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 86.55% | 98.05% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 85.03% | 96.90% |
| CHEMBL4578 | Q14680 | Maternal embryonic leucine zipper kinase | 84.96% | 81.58% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.93% | 99.17% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 84.41% | 92.88% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 84.36% | 89.62% |
| CHEMBL3384 | Q16512 | Protein kinase N1 | 84.26% | 80.71% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 84.13% | 100.00% |
| CHEMBL4296 | Q15858 | Sodium channel protein type IX alpha subunit | 83.53% | 96.11% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.27% | 93.56% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 83.14% | 89.33% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 83.06% | 93.10% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.39% | 95.50% |
| CHEMBL3837 | P07711 | Cathepsin L | 82.08% | 96.61% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 81.59% | 94.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.59% | 96.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.97% | 90.00% |
| CHEMBL4616 | Q92847 | Ghrelin receptor | 80.59% | 92.00% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 80.55% | 97.31% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.54% | 93.04% |
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 | 73810115 |
| LOTUS | LTS0083168 |
| wikiData | Q105128097 |