2-Amino-4-[[1-[[6-(2-amino-2-oxoethyl)-3-[2-[1,3-dihydroxy-5-oxo-5-[(11,19,27,35-tetraamino-3-hydroxyhexatriacontyl)amino]pentyl]pyrrolidine-1-carbonyl]-2-methyl-5,8,11-trioxo-1,4,7-triazacycloundec-9-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
| Internal ID | 47f5c5e9-fe54-46ee-a09f-8641bcadf728 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Cyclic peptides |
| IUPAC Name | 2-amino-4-[[1-[[6-(2-amino-2-oxoethyl)-3-[2-[1,3-dihydroxy-5-oxo-5-[(11,19,27,35-tetraamino-3-hydroxyhexatriacontyl)amino]pentyl]pyrrolidine-1-carbonyl]-2-methyl-5,8,11-trioxo-1,4,7-triazacycloundec-9-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C70H125N13O13/c1-47(71)27-16-7-3-8-19-30-50(72)31-20-9-4-10-21-32-51(73)33-22-11-5-12-23-34-52(74)35-24-13-6-14-25-36-53(84)38-39-77-62(88)43-54(85)42-60(86)59-37-26-40-83(59)69(94)65-48(2)78-64(90)46-58(67(92)80-57(45-61(76)87)68(93)82-65)81-66(91)56(41-49-28-17-15-18-29-49)79-63(89)44-55(75)70(95)96/h15,17-18,28-29,47-48,50-60,65,84-86H,3-14,16,19-27,30-46,71-75H2,1-2H3,(H2,76,87)(H,77,88)(H,78,90)(H,79,89)(H,80,92)(H,81,91)(H,82,93)(H,95,96) |
| InChI Key | UQMLOLISKCIDNY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C70H125N13O13 |
| Molecular Weight | 1356.80 g/mol |
| Exact Mass | 1355.95198109 g/mol |
| Topological Polar Surface Area (TPSA) | 466.00 Ų |
| XlogP | 1.60 |
| There are no found synonyms. |
![2D Structure of 2-Amino-4-[[1-[[6-(2-amino-2-oxoethyl)-3-[2-[1,3-dihydroxy-5-oxo-5-[(11,19,27,35-tetraamino-3-hydroxyhexatriacontyl)amino]pentyl]pyrrolidine-1-carbonyl]-2-methyl-5,8,11-trioxo-1,4,7-triazacycloundec-9-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/357ec0a0-85b1-11ee-8b87-9158f1117f0f.jpg "2D Structure of 2-Amino-4-[[1-[[6-(2-amino-2-oxoethyl)-3-[2-[1,3-dihydroxy-5-oxo-5-[(11,19,27,35-tetraamino-3-hydroxyhexatriacontyl)amino]pentyl]pyrrolidine-1-carbonyl]-2-methyl-5,8,11-trioxo-1,4,7-triazacycloundec-9-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic 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 | 99.96% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.43% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 98.98% | 83.82% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 97.67% | 98.33% |
| CHEMBL236 | P41143 | Delta opioid receptor | 97.40% | 99.35% |
| CHEMBL4801 | P29466 | Caspase-1 | 96.57% | 96.85% |
| CHEMBL233 | P35372 | Mu opioid receptor | 96.13% | 97.93% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 95.97% | 96.47% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.93% | 91.11% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 95.86% | 97.64% |
| CHEMBL4979 | P13866 | Sodium/glucose cotransporter 1 | 94.71% | 98.24% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.69% | 94.45% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 94.44% | 90.17% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 93.83% | 90.08% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 93.43% | 95.00% |
| CHEMBL3837 | P07711 | Cathepsin L | 93.05% | 96.61% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 92.37% | 94.66% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 92.13% | 97.23% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.02% | 99.17% |
| CHEMBL2492 | P36544 | Neuronal acetylcholine receptor protein alpha-7 subunit | 91.89% | 88.42% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 91.88% | 90.71% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 91.65% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.64% | 97.09% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 91.02% | 96.25% |
| CHEMBL2327 | P21452 | Neurokinin 2 receptor | 90.63% | 98.89% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 89.59% | 97.14% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 88.62% | 90.20% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.50% | 95.89% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 88.18% | 93.56% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 88.09% | 93.00% |
| CHEMBL5028 | O14672 | ADAM10 | 88.00% | 97.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.82% | 95.56% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 87.52% | 92.29% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 86.59% | 93.03% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.40% | 82.69% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.41% | 91.19% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.92% | 100.00% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 83.53% | 90.24% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.96% | 95.89% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 81.60% | 97.21% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 81.42% | 89.33% |
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 | 162814446 |
| LOTUS | LTS0219805 |
| wikiData | Q104198678 |