Ganefromycin beta
| Internal ID | 6853d87a-0771-445f-b0b9-8997e07d75e0 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Oligosaccharides |
| IUPAC Name | (2E,4E,6E)-7-[5-[(4E,6E)-8-[[(2S)-2-[(2S,4S,6S)-2,4-dihydroxy-5,5-dimethyl-6-[(1E,3Z)-penta-1,3-dienyl]oxan-2-yl]-3-[(2R,4S,5R,6S)-5-[(2R,4R,5S,6S)-5-[(2S,4S,5R,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxypropanoyl]amino]-3-methoxy-4-methylocta-4,6-dien-2-yl]-3-hydroxyoxolan-2-yl]hepta-2,4,6-trienoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C57H89NO19/c1-13-14-17-24-46-56(7,8)45(60)31-57(65,77-46)38(55(64)58-26-21-20-22-33(2)52(69-12)34(3)41-27-39(59)40(74-41)23-18-15-16-19-25-47(61)62)32-70-48-29-43(67-10)53(36(5)72-48)76-50-30-44(68-11)54(37(6)73-50)75-49-28-42(66-9)51(63)35(4)71-49/h13-25,34-46,48-54,59-60,63,65H,26-32H2,1-12H3,(H,58,64)(H,61,62)/b14-13-,16-15+,21-20+,23-18+,24-17+,25-19+,33-22+/t34?,35-,36-,37-,38+,39?,40?,41?,42-,43-,44+,45-,46-,48+,49-,50+,51+,52?,53+,54-,57-/m0/s1 |
| InChI Key | GYALAKIKPRXBBB-XRFFAWBTSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C57H89NO19 |
| Molecular Weight | 1092.30 g/mol |
| Exact Mass | 1091.60287961 g/mol |
| Topological Polar Surface Area (TPSA) | 258.00 Ų |
| XlogP | 4.90 |
| CHEMBL445828 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.49% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.04% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.57% | 85.14% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 94.39% | 95.93% |
| CHEMBL2815 | P04629 | Nerve growth factor receptor Trk-A | 91.86% | 87.16% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 91.26% | 95.89% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 90.65% | 91.19% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 90.34% | 95.71% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 90.16% | 97.21% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 89.99% | 96.95% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 89.49% | 95.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 89.16% | 90.17% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 88.47% | 96.38% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.16% | 89.00% |
| CHEMBL5678 | P34947 | G protein-coupled receptor kinase 5 | 87.96% | 88.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 87.50% | 95.50% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 86.89% | 95.58% |
| CHEMBL251 | P29274 | Adenosine A2a receptor | 86.65% | 94.40% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 85.83% | 89.50% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 85.67% | 91.07% |
| CHEMBL5028 | O14672 | ADAM10 | 85.05% | 97.50% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 85.03% | 96.25% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 84.99% | 94.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.69% | 95.89% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 84.55% | 96.77% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 84.07% | 91.03% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.86% | 94.45% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.75% | 99.23% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 83.51% | 98.59% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 82.47% | 89.44% |
| CHEMBL3837 | P07711 | Cathepsin L | 82.35% | 96.61% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.16% | 96.00% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 82.12% | 92.29% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 82.11% | 94.00% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 81.82% | 85.31% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.71% | 99.17% |
| CHEMBL2534 | O15530 | 3-phosphoinositide dependent protein kinase-1 | 81.43% | 95.36% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 81.10% | 91.24% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.83% | 92.50% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 80.51% | 97.31% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 80.38% | 95.83% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.33% | 93.56% |
| CHEMBL1075317 | P61964 | WD repeat-containing protein 5 | 80.20% | 96.33% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| PubChem | 10558105 |
| LOTUS | LTS0081335 |
| wikiData | Q77371416 |