Guadinomine B
| Internal ID | c9a5002c-86a9-4a00-8b65-3b256f70d1e4 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Oligopeptides |
| IUPAC Name | (2S)-2-[[(2S)-2-[[2,3-diamino-8-(2-amino-1-carbamoyl-4,5-dihydroimidazol-4-yl)-6,7-dihydroxyoctanoyl]amino]propanoyl]amino]-3-methylbutanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H38N8O7/c1-8(2)15(18(33)34)27-16(31)9(3)25-17(32)14(22)11(21)4-5-12(29)13(30)6-10-7-28(20(24)35)19(23)26-10/h8-15,29-30H,4-7,21-22H2,1-3H3,(H2,23,26)(H2,24,35)(H,25,32)(H,27,31)(H,33,34)/t9-,10?,11?,12?,13?,14?,15-/m0/s1 |
| InChI Key | YLQGBTCZCVMFGN-WOAUDBLGSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C20H38N8O7 |
| Molecular Weight | 502.60 g/mol |
| Exact Mass | 502.28634558 g/mol |
| Topological Polar Surface Area (TPSA) | 273.00 Ų |
| XlogP | -5.50 |
| (2S)-2-[[(2S)-2-[[2,3-Diamino-8-(2-amino-1-carbamoyl-4,5-dihydroimidazol-4-yl)-6,7-dihydroxyoctanoyl]amino]propanoyl]amino]-3-methylbutanoic 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.78% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.59% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.17% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 94.85% | 90.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.58% | 85.14% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 91.39% | 93.56% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 89.81% | 98.05% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 87.09% | 98.33% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 86.35% | 100.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.02% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.23% | 99.17% |
| CHEMBL3308 | P55212 | Caspase-6 | 85.04% | 97.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.20% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.13% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.97% | 96.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.53% | 90.71% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 82.87% | 97.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.17% | 97.09% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 81.97% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.11% | 91.11% |
| CHEMBL274 | P51681 | C-C chemokine receptor type 5 | 80.64% | 98.77% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.44% | 100.00% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 80.27% | 93.10% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.06% | 89.50% |
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 | 24864278 |
| LOTUS | LTS0217648 |
| wikiData | Q105350235 |