(2R,3R)-4-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-[acetyl(hydroxy)amino]-1-[[(E)-1-[[(2R)-3-hydroxy-1-[[(3R)-1-hydroxy-2-oxopiperidin-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxobut-2-en-2-yl]amino]-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-5-amino-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-hydroxy-4-oxo-3-[[(Z)-tetradec-7-enoyl]amino]butanoic acid
| Internal ID | 5d171594-bafb-4c44-8731-b8b8e9f744c3 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides |
| IUPAC Name | (2R,3R)-4-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-[acetyl(hydroxy)amino]-1-[[(E)-1-[[(2R)-3-hydroxy-1-[[(3R)-1-hydroxy-2-oxopiperidin-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxobut-2-en-2-yl]amino]-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-5-amino-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-hydroxy-4-oxo-3-[[(Z)-tetradec-7-enoyl]amino]butanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C48H79N11O19/c1-4-6-7-8-9-10-11-12-13-14-15-20-37(65)57-38(39(66)48(75)76)46(73)56-35(27-62)44(71)52-31(21-22-36(49)64)42(69)55-33(25-60)43(70)51-30(18-16-23-58(77)28(3)63)41(68)50-29(5-2)40(67)54-34(26-61)45(72)53-32-19-17-24-59(78)47(32)74/h5,10-11,30-35,38-39,60-62,66,77-78H,4,6-9,12-27H2,1-3H3,(H2,49,64)(H,50,68)(H,51,70)(H,52,71)(H,53,72)(H,54,67)(H,55,69)(H,56,73)(H,57,65)(H,75,76)/b11-10-,29-5+/t30-,31-,32+,33-,34+,35+,38+,39+/m0/s1 |
| InChI Key | GKZPHTZLQSSUOT-UXWCMDNTSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C48H79N11O19 |
| Molecular Weight | 1114.20 g/mol |
| Exact Mass | 1113.55536933 g/mol |
| Topological Polar Surface Area (TPSA) | 475.00 Ų |
| XlogP | -2.70 |
| There are no found synonyms. |
![2D Structure of (2R,3R)-4-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-[acetyl(hydroxy)amino]-1-[[(E)-1-[[(2R)-3-hydroxy-1-[[(3R)-1-hydroxy-2-oxopiperidin-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxobut-2-en-2-yl]amino]-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-5-amino-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-hydroxy-4-oxo-3-[[(Z)-tetradec-7-enoyl]amino]butanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/61f23d20-83aa-11ee-99a9-f57764dff77a.jpg "2D Structure of (2R,3R)-4-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-[acetyl(hydroxy)amino]-1-[[(E)-1-[[(2R)-3-hydroxy-1-[[(3R)-1-hydroxy-2-oxopiperidin-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxobut-2-en-2-yl]amino]-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-5-amino-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-hydroxy-4-oxo-3-[[(Z)-tetradec-7-enoyl]amino]butanoic 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 | 99.85% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 99.01% | 99.17% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 97.89% | 90.17% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 97.18% | 93.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 97.16% | 93.56% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 96.82% | 98.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.36% | 96.09% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 95.88% | 91.81% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 95.80% | 82.69% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 95.18% | 95.00% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 93.77% | 100.00% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 93.74% | 94.66% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.55% | 91.11% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 93.17% | 89.63% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 93.11% | 90.08% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 92.45% | 96.47% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 92.17% | 95.38% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.76% | 94.45% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 91.58% | 91.19% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 91.49% | 93.10% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 91.34% | 95.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.65% | 97.09% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 90.19% | 97.29% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 90.11% | 96.00% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 89.50% | 96.38% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 89.20% | 100.00% |
| CHEMBL3837 | P07711 | Cathepsin L | 89.14% | 96.61% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 88.89% | 100.00% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 88.75% | 96.90% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 88.19% | 83.82% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 87.99% | 92.32% |
| CHEMBL3629 | P68400 | Casein kinase II alpha | 87.30% | 98.89% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.18% | 95.89% |
| CHEMBL4296 | Q15858 | Sodium channel protein type IX alpha subunit | 86.42% | 96.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.27% | 99.23% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 85.89% | 97.50% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 85.52% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.50% | 95.56% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 85.39% | 97.64% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.18% | 90.71% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 84.24% | 92.50% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 84.05% | 94.33% |
| CHEMBL1944495 | P28065 | Proteasome subunit beta type-9 | 83.66% | 97.50% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 82.66% | 92.86% |
| CHEMBL2534 | O15530 | 3-phosphoinositide dependent protein kinase-1 | 82.29% | 95.36% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.27% | 97.14% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.79% | 95.89% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 81.00% | 92.08% |
| CHEMBL1873 | P00750 | Tissue-type plasminogen activator | 80.78% | 93.33% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 80.14% | 100.00% |
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 | 44139240 |
| LOTUS | LTS0219950 |
| wikiData | Q105010634 |