Valine, N-(5-methyl-1-oxohexyl)valylthreonylvalylvalyl-D-prolyl-L-ornithy-l-D-alloisoleucylthreonyl-D-alloisoleucylvalyl-L-phenylalanyl-(Z)--2,3-didehydro-2-aminobutanoyl-, rho-lactone
| Internal ID | 4d40f219-474d-4224-a7a5-712f414e26a2 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | (2R)-N-[(2S)-5-amino-1-[[(2R,3S)-1-[[(3S,6Z,9S,12S,15R,18S,19R)-9-benzyl-15-[(2S)-butan-2-yl]-6-ethylidene-19-methyl-2,5,8,11,14,17-hexaoxo-3,12-di(propan-2-yl)-1-oxa-4,7,10,13,16-pentazacyclononadec-18-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]-1-[(2S)-2-[[(2S)-2-[[(2S,3R)-3-hydroxy-2-[[(2S)-3-methyl-2-(5-methylhexanoylamino)butanoyl]amino]butanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carboxamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C75H124N14O16/c1-20-44(16)59(71(100)88-62-47(19)105-75(104)58(43(14)15)84-63(92)49(22-3)77-65(94)51(37-48-30-24-23-25-31-48)79-67(96)55(40(8)9)81-70(99)60(45(17)21-2)86-73(62)102)85-64(93)50(32-27-35-76)78-66(95)52-33-28-36-89(52)74(103)57(42(12)13)83-69(98)56(41(10)11)82-72(101)61(46(18)90)87-68(97)54(39(6)7)80-53(91)34-26-29-38(4)5/h22-25,30-31,38-47,50-52,54-62,90H,20-21,26-29,32-37,76H2,1-19H3,(H,77,94)(H,78,95)(H,79,96)(H,80,91)(H,81,99)(H,82,101)(H,83,98)(H,84,92)(H,85,93)(H,86,102)(H,87,97)(H,88,100)/b49-22-/t44-,45-,46+,47+,50-,51-,52+,54-,55-,56-,57-,58-,59+,60+,61-,62-/m0/s1 |
| InChI Key | RCGXNDQKCXNWLO-YUWVIAPDSA-N |
| Popularity | 122 references in papers |
| Molecular Formula | C75H124N14O16 |
| Molecular Weight | 1477.90 g/mol |
| Exact Mass | 1476.93197392 g/mol |
| Topological Polar Surface Area (TPSA) | 442.00 Ų |
| XlogP | 7.40 |
| pm-92102 |
| 149204-42-2 |
| SCHEMBL4352347 |
| deamino-hLeu-Val-Thr-Val-Val-D-Pro-Orn-D-aIle-Thr(1)-D-aIle-Val-Phe-Abu(2,3-dehydro)-Val-(1) |
| Valine, N-(5-methyl-1-oxohexyl)valylthreonylvalylvalyl-D-prolyl-L-ornithy- l-D-alloisoleucylthreonyl-D-alloisoleucylvalyl-L-phenylalanyl-(Z)- -2,3-didehydro-2-aminobutanoyl-, rho-lactone |
| 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 | 99.82% | 98.95% |
| CHEMBL3837 | P07711 | Cathepsin L | 99.39% | 96.61% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 98.47% | 98.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.21% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.01% | 96.09% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 97.27% | 97.64% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 97.07% | 100.00% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 96.80% | 89.63% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.65% | 95.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 96.59% | 90.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 96.50% | 97.09% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 96.08% | 94.66% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 95.85% | 96.47% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 95.62% | 90.08% |
| CHEMBL2492 | P36544 | Neuronal acetylcholine receptor protein alpha-7 subunit | 94.16% | 88.42% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 93.97% | 93.56% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 93.90% | 97.14% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 93.88% | 96.31% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 93.47% | 82.38% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.72% | 99.17% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 92.51% | 100.00% |
| CHEMBL1944495 | P28065 | Proteasome subunit beta type-9 | 91.97% | 97.50% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 91.76% | 88.56% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 91.11% | 95.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 90.84% | 93.00% |
| CHEMBL4979 | P13866 | Sodium/glucose cotransporter 1 | 90.33% | 98.24% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.64% | 94.45% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 89.28% | 93.03% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.91% | 90.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.04% | 95.89% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 85.92% | 98.59% |
| CHEMBL4072 | P07858 | Cathepsin B | 85.61% | 93.67% |
| CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 85.10% | 96.03% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 84.95% | 93.18% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.12% | 82.69% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 82.11% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.87% | 91.19% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.50% | 94.75% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.40% | 99.23% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.91% | 95.89% |
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 | 6436220 |
| LOTUS | LTS0188281 |
| wikiData | Q105233635 |