Pentanamide, N-[14-(1-hydroxyethyl)-10,16,20,22,26-pentamethyl-2,17-bis(1-methylethyl)-8-(1-methylpropyl)-5,11,23-tris(2-methylpropyl)-3,6,9,12,15,18,21,24,28-nonaoxo-1,4,25-trioxa-7,10,13,16,19,22-hexaazacyclooctacos-27-yl]-3-methyl-2-(methylamino)-
| Internal ID | 8ad820f5-e44c-4ea6-baa9-379f36210381 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | N-[8-butan-2-yl-14-(1-hydroxyethyl)-10,16,20,22,26-pentamethyl-5,11,23-tris(2-methylpropyl)-3,6,9,12,15,18,21,24,28-nonaoxo-2,17-di(propan-2-yl)-1,4,25-trioxa-7,10,13,16,19,22-hexazacyclooctacos-27-yl]-3-methyl-2-(methylamino)pentanamide |
| SMILES (Canonical) | CCC(C)C1C(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)OC(C(C(=O)OC(C(=O)OC(C(=O)N1)CC(C)C)C(C)C)NC(=O)C(C(C)CC)NC)C)CC(C)C)C)C)C(C)C)C)C(C)O)CC(C)C)C |
| SMILES (Isomeric) | CCC(C)C1C(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)OC(C(C(=O)OC(C(=O)OC(C(=O)N1)CC(C)C)C(C)C)NC(=O)C(C(C)CC)NC)C)CC(C)C)C)C)C(C)C)C)C(C)O)CC(C)C)C |
| InChI | InChI=1S/C55H98N8O14/c1-22-32(13)40(56-18)48(67)60-43-36(17)75-53(72)38(25-28(5)6)62(20)50(69)34(15)57-49(68)44(30(9)10)63(21)52(71)42(35(16)64)59-46(65)37(24-27(3)4)61(19)51(70)41(33(14)23-2)58-47(66)39(26-29(7)8)76-55(74)45(31(11)12)77-54(43)73/h27-45,56,64H,22-26H2,1-21H3,(H,57,68)(H,58,66)(H,59,65)(H,60,67) |
| InChI Key | BHLZAVHBILJGRP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C55H98N8O14 |
| Molecular Weight | 1095.40 g/mol |
| Exact Mass | 1094.72024983 g/mol |
| Topological Polar Surface Area (TPSA) | 289.00 Ų |
| XlogP | 7.80 |
| N-[14-(1-hydroxyethyl)-5,11,23-triisobutyl-2,17-diisopropyl-10,16,20,22,26-pentamethyl-3,6,9,12,15,18,21,24,28-nonaoxo-8-sec-butyl-1,4,25-trioxa-7,10,13,16,19,22-hexazacyclooctacos-27-yl]-3-methyl-2-(methylamino)pentanamide |
| Pentanamide, N-[14-(1-hydroxyethyl)-10,16,20,22,26-pentamethyl-2,17-bis(1-methylethyl)-8-(1-methylpropyl)-5,11,23-tris(2-methylpropyl)-3,6,9,12,15,18,21,24,28-nonaoxo-1,4,25-trioxa-7,10,13,16,19,22-hexaazacyclooctacos-27-yl]-3-methyl-2-(methylamino)- |
![2D Structure of Pentanamide, N-[14-(1-hydroxyethyl)-10,16,20,22,26-pentamethyl-2,17-bis(1-methylethyl)-8-(1-methylpropyl)-5,11,23-tris(2-methylpropyl)-3,6,9,12,15,18,21,24,28-nonaoxo-1,4,25-trioxa-7,10,13,16,19,22-hexaazacyclooctacos-27-yl]-3-methyl-2-(methylamino)-](https://plantaedb.com/storage/docs/compounds/2023/11/f23522f0-86e6-11ee-9884-376cce85b473.jpg "2D Structure of Pentanamide, N-[14-(1-hydroxyethyl)-10,16,20,22,26-pentamethyl-2,17-bis(1-methylethyl)-8-(1-methylpropyl)-5,11,23-tris(2-methylpropyl)-3,6,9,12,15,18,21,24,28-nonaoxo-1,4,25-trioxa-7,10,13,16,19,22-hexaazacyclooctacos-27-yl]-3-methyl-2-(methylamino)-")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.03% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.95% | 98.95% |
| CHEMBL3837 | P07711 | Cathepsin L | 97.59% | 96.61% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 96.91% | 98.59% |
| CHEMBL4072 | P07858 | Cathepsin B | 96.18% | 93.67% |
| CHEMBL1949 | P62937 | Cyclophilin A | 95.73% | 98.57% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.78% | 85.14% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.29% | 97.25% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 90.31% | 89.50% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 89.02% | 96.38% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 88.76% | 90.93% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.86% | 93.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.33% | 99.23% |
| CHEMBL332 | P03956 | Matrix metalloproteinase-1 | 86.72% | 94.50% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 86.11% | 96.31% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.31% | 95.56% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 85.17% | 94.66% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 84.31% | 96.77% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.30% | 89.00% |
| CHEMBL3691 | Q13822 | Autotaxin | 84.29% | 96.39% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.99% | 96.47% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 83.72% | 95.71% |
| CHEMBL4073 | P09237 | Matrix metalloproteinase 7 | 83.63% | 97.56% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 83.54% | 89.34% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 83.48% | 95.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.77% | 93.03% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.20% | 99.17% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.63% | 96.90% |
| CHEMBL2096618 | P11274 | Bcr/Abl fusion protein | 81.27% | 85.83% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 81.17% | 92.12% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 80.96% | 90.08% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.54% | 90.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.31% | 90.71% |
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 | 6481113 |
| LOTUS | LTS0053366 |
| wikiData | Q103816743 |