Bafilomycin J
| Internal ID | d30090a6-2987-4e52-9bcc-ff9616583f48 |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | (7R,8S,9S,15S,16R)-8-hydroxy-16-[(2S,3R,4S)-3-hydroxy-4-[(2R,4R,5S,6R)-2-hydroxy-4-methoxy-5-methyl-6-propan-2-yloxan-2-yl]pentan-2-yl]-15-methoxy-3,5,7,9,11-pentamethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C36H60O8/c1-20(2)33-26(8)30(42-12)19-36(40,44-33)28(10)32(38)27(9)34-29(41-11)15-13-14-21(3)16-23(5)31(37)24(6)17-22(4)18-25(7)35(39)43-34/h13-15,17-18,20,23-24,26-34,37-38,40H,16,19H2,1-12H3/t23-,24+,26-,27-,28-,29-,30+,31-,32+,33+,34+,36+/m0/s1 |
| InChI Key | PHNJREQYDLKYEB-PBJZSJAHSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C36H60O8 |
| Molecular Weight | 620.90 g/mol |
| Exact Mass | 620.42881887 g/mol |
| Topological Polar Surface Area (TPSA) | 115.00 Ų |
| XlogP | 6.80 |
| (7R,8S,9S,15S,16R)-8-hydroxy-16-[(2S,3R,4S)-3-hydroxy-4-[(2R,4R,5S,6R)-2-hydroxy-4-methoxy-5-methyl-6-propan-2-yloxan-2-yl]pentan-2-yl]-15-methoxy-3,5,7,9,11-pentamethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one |
| (7R,8S,9S,15S,16R)-8-hydroxy-16-((2S,3R,4S)-3-hydroxy-4-((2R,4R,5S,6R)-2-hydroxy-4-methoxy-5-methyl-6-propan-2-yloxan-2-yl)pentan-2-yl)-15-methoxy-3,5,7,9,11-pentamethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one |
| RefChem:116319 |
| CHEBI:198365 |
| 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 99.39% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.89% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.66% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.65% | 95.56% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 92.72% | 94.80% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.50% | 97.25% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.88% | 99.23% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.72% | 98.95% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 88.67% | 97.05% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.40% | 97.09% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 88.06% | 97.14% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 86.49% | 96.77% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.32% | 93.56% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 85.08% | 97.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.86% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.79% | 94.45% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.85% | 98.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.26% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.85% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.79% | 94.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.47% | 95.89% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.25% | 93.03% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 80.72% | 86.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.40% | 94.75% |
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 | 139583355 |
| LOTUS | LTS0059306 |
| wikiData | Q75059535 |