Isofumonisin B1
| Internal ID | 60362e28-4977-48e7-a820-c72baad49588 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Fumonisins |
| IUPAC Name | 2-[2-[19-amino-6-(3,4-dicarboxybutanoyloxy)-11,17,18-trihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C34H59NO15/c1-5-6-10-20(3)32(50-30(43)18-23(34(47)48)16-28(40)41)26(49-29(42)17-22(33(45)46)15-27(38)39)14-19(2)13-24(36)11-8-7-9-12-25(37)31(44)21(4)35/h19-26,31-32,36-37,44H,5-18,35H2,1-4H3,(H,38,39)(H,40,41)(H,45,46)(H,47,48) |
| InChI Key | IYHQYIAATKLXJR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C34H59NO15 |
| Molecular Weight | 721.80 g/mol |
| Exact Mass | 721.38847018 g/mol |
| Topological Polar Surface Area (TPSA) | 289.00 Ų |
| XlogP | -0.30 |
| 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 |
|---|---|---|---|---|
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 98.96% | 90.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.70% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.97% | 98.95% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 96.21% | 97.29% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 95.66% | 93.31% |
| CHEMBL236 | P41143 | Delta opioid receptor | 94.61% | 99.35% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 94.36% | 93.56% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 92.90% | 83.82% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 92.20% | 97.21% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 92.09% | 96.47% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 91.42% | 92.86% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 90.97% | 94.08% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 90.62% | 96.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.49% | 99.17% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 89.37% | 100.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 86.95% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.91% | 91.11% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.80% | 90.71% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 85.79% | 96.00% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 84.41% | 100.00% |
| CHEMBL3776 | Q14790 | Caspase-8 | 83.07% | 97.06% |
| CHEMBL211 | P08172 | Muscarinic acetylcholine receptor M2 | 81.61% | 94.97% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.57% | 95.50% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 81.01% | 100.00% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 80.69% | 87.45% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.50% | 96.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.46% | 94.45% |
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 | 85270794 |
| LOTUS | LTS0131074 |
| wikiData | Q104169255 |