Microginin 649
| Internal ID | 918c934e-ffd4-43de-ad0f-f2824d1e73a1 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides |
| IUPAC Name | 2-[[2-[[2-[2-[(3-amino-2-hydroxydecanoyl)amino]propanoylamino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C33H55N5O8/c1-7-8-9-10-11-12-24(34)28(40)32(44)35-21(6)29(41)38-27(20(4)5)31(43)36-25(17-19(2)3)30(42)37-26(33(45)46)18-22-13-15-23(39)16-14-22/h13-16,19-21,24-28,39-40H,7-12,17-18,34H2,1-6H3,(H,35,44)(H,36,43)(H,37,42)(H,38,41)(H,45,46) |
| InChI Key | GVNAHVNLGQRLGJ-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C33H55N5O8 |
| Molecular Weight | 649.80 g/mol |
| Exact Mass | 649.40506373 g/mol |
| Topological Polar Surface Area (TPSA) | 220.00 Ų |
| XlogP | 1.90 |
| DTXSID701335091 |
| 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 | 99.92% | 98.95% |
| CHEMBL3837 | P07711 | Cathepsin L | 99.23% | 96.61% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 99.01% | 93.56% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 98.18% | 89.63% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 98.13% | 99.17% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 96.31% | 100.00% |
| CHEMBL4072 | P07858 | Cathepsin B | 95.88% | 93.67% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 95.73% | 90.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.65% | 96.09% |
| CHEMBL236 | P41143 | Delta opioid receptor | 95.57% | 99.35% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 95.55% | 100.00% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 94.55% | 97.29% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 94.11% | 92.29% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 93.95% | 90.93% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 93.91% | 97.23% |
| CHEMBL268 | P43235 | Cathepsin K | 93.20% | 96.85% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 92.56% | 90.71% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 92.55% | 90.20% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 92.49% | 93.31% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 92.49% | 98.35% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 91.75% | 83.82% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 91.73% | 92.08% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.40% | 94.45% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 91.31% | 100.00% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 90.36% | 93.10% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 89.47% | 100.00% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 88.97% | 92.86% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.90% | 95.56% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 87.16% | 91.81% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.67% | 91.11% |
| CHEMBL3891 | P07384 | Calpain 1 | 86.27% | 93.04% |
| CHEMBL3308 | P55212 | Caspase-6 | 86.24% | 97.56% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.53% | 95.50% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 84.21% | 97.21% |
| CHEMBL2095164 | P49354 | Geranylgeranyl transferase type I | 83.53% | 92.80% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 82.92% | 95.17% |
| CHEMBL227 | P30556 | Type-1 angiotensin II receptor | 82.00% | 99.53% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.86% | 95.89% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.36% | 93.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.16% | 96.00% |
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.
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| There are no matching plants. |
| PubChem | 146684941 |
| LOTUS | LTS0085877 |
| wikiData | Q104246277 |