Isariotin B
| Internal ID | 9faa8631-beb4-4ab4-a868-695f8e38fa11 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Medium-chain fatty acids |
| IUPAC Name | (E)-12-oxo-12-[[(1S,2S,4S,5S,6S,7R,8S)-1,5,7-trihydroxy-10-oxo-3-oxatricyclo[4.3.1.02,4]decan-8-yl]amino]dodec-10-enoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H31NO8/c23-13(9-7-5-3-1-2-4-6-8-10-14(24)25)22-12-11-21(29)19(28)15(16(12)26)17(27)18-20(21)30-18/h7,9,12,15-18,20,26-27,29H,1-6,8,10-11H2,(H,22,23)(H,24,25)/b9-7+/t12-,15-,16-,17-,18-,20-,21+/m0/s1 |
| InChI Key | GCOQLRRFBKJAPF-DBGSMAKUSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C21H31NO8 |
| Molecular Weight | 425.50 g/mol |
| Exact Mass | 425.20496695 g/mol |
| Topological Polar Surface Area (TPSA) | 157.00 Ų |
| XlogP | 0.30 |
| (E)-12-oxo-12-[[(1S,2S,4S,5S,6S,7R,8S)-1,5,7-trihydroxy-10-oxo-3-oxatricyclo[4.3.1.02,4]decan-8-yl]amino]dodec-10-enoic acid |
| (E)-12-oxo-12-(((1S,2S,4S,5S,6S,7R,8S)-1,5,7-trihydroxy-10-oxo-3-oxatricyclo(4.3.1.02,4)decan-8-yl)amino)dodec-10-enoic acid |
| 11-((1,5,7-trihydroxy-10-oxo-3-oxatricyclo(4.3.1.0,)decan-8-yl)-C-hydroxycarbonimidoyl)undec-10-enoate |
| 11-({1,5,7-trihydroxy-10-oxo-3-oxatricyclo[4.3.1.0,]decan-8-yl}-C-hydroxycarbonimidoyl)undec-10-enoate |
| RefChem:148898 |
| 952703-97-8 |
| CHEMBL253124 |
| CHEBI:205760 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.30% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 96.60% | 90.17% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.85% | 99.17% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 94.37% | 83.82% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 93.76% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.01% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.53% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.21% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.35% | 89.00% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 85.80% | 96.38% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.64% | 99.23% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.59% | 100.00% |
| CHEMBL5678 | P34947 | G protein-coupled receptor kinase 5 | 84.39% | 88.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 84.21% | 92.50% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 83.49% | 89.34% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 83.40% | 85.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.37% | 94.33% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 82.68% | 97.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.52% | 93.00% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 81.51% | 95.71% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.22% | 91.19% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.85% | 95.56% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 80.17% | 96.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.15% | 95.50% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 80.12% | 92.32% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 44445761 |
| LOTUS | LTS0190395 |
| wikiData | Q105006378 |