Des(diserylglycyl)ferrirhodin
| Internal ID | 1344bdbd-a5c5-4490-b818-4e823ce49121 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides |
| IUPAC Name | (2S)-2-[[(2S)-2-[[(2S)-2-amino-5-[hydroxy-[(Z)-5-hydroxy-3-methylpent-2-enoyl]amino]pentanoyl]amino]-5-[hydroxy-[(Z)-5-hydroxy-3-methylpent-2-enoyl]amino]pentanoyl]amino]-5-[hydroxy-[(Z)-5-hydroxy-3-methylpent-2-enoyl]amino]pentanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C33H56N6O13/c1-22(10-16-40)19-28(43)37(50)13-4-7-25(34)31(46)35-26(8-5-14-38(51)29(44)20-23(2)11-17-41)32(47)36-27(33(48)49)9-6-15-39(52)30(45)21-24(3)12-18-42/h19-21,25-27,40-42,50-52H,4-18,34H2,1-3H3,(H,35,46)(H,36,47)(H,48,49)/b22-19-,23-20-,24-21-/t25-,26-,27-/m0/s1 |
| InChI Key | CZNDRNTWCVIHIP-VOUIFILWSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C33H56N6O13 |
| Molecular Weight | 744.80 g/mol |
| Exact Mass | 744.39053586 g/mol |
| Topological Polar Surface Area (TPSA) | 304.00 Ų |
| XlogP | -3.50 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.76% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.86% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.58% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.47% | 99.17% |
| CHEMBL236 | P41143 | Delta opioid receptor | 96.23% | 99.35% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 95.83% | 93.10% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 92.64% | 93.56% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 92.02% | 100.00% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 90.50% | 92.29% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 90.12% | 98.33% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 87.55% | 98.10% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 87.19% | 93.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.06% | 96.95% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.25% | 91.19% |
| CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 86.10% | 96.03% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.87% | 94.45% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 85.62% | 97.21% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 85.45% | 100.00% |
| CHEMBL4618 | P09960 | Leukotriene A4 hydrolase | 84.61% | 97.86% |
| CHEMBL233 | P35372 | Mu opioid receptor | 84.42% | 97.93% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.96% | 100.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.86% | 96.00% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 82.91% | 97.29% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 82.86% | 90.20% |
| CHEMBL3629 | P68400 | Casein kinase II alpha | 82.77% | 98.89% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 82.76% | 91.11% |
| CHEMBL4816 | Q9Y243 | Serine/threonine-protein kinase AKT3 | 82.76% | 96.28% |
| CHEMBL3776 | Q14790 | Caspase-8 | 82.54% | 97.06% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.66% | 95.56% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.52% | 94.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.06% | 94.73% |
| CHEMBL3018 | Q9Y5Y6 | Matriptase | 81.03% | 98.33% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.89% | 95.50% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 80.66% | 95.00% |
| CHEMBL5028 | O14672 | ADAM10 | 80.53% | 97.50% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 80.02% | 96.47% |
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 | 139586072 |
| LOTUS | LTS0168337 |
| wikiData | Q77498170 |