Reedsmycin B
| Internal ID | fc182f61-8e53-4f8d-bb8e-4b43ac827497 |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | (3E,5E,7Z,9E,11E,29E)-32-butan-2-yl-14,16,18,20,22,24,26,28-octahydroxy-31-methyl-1-oxacyclodotriaconta-3,5,7,9,11,29-hexaen-2-one |
| SMILES (Canonical) | CCC(C)C1C(C=CC(CC(CC(CC(CC(CC(CC(CC(CC=CC=CC=CC=CC=CC(=O)O1)O)O)O)O)O)O)O)O)C |
| SMILES (Isomeric) | CCC(C)C1C(/C=C/C(CC(CC(CC(CC(CC(CC(CC(C/C=C/C=C/C=C\C=C\C=C\C(=O)O1)O)O)O)O)O)O)O)O)C |
| InChI | InChI=1S/C36H58O10/c1-4-25(2)36-26(3)16-17-28(38)19-30(40)21-32(42)23-34(44)24-33(43)22-31(41)20-29(39)18-27(37)14-12-10-8-6-5-7-9-11-13-15-35(45)46-36/h5-13,15-17,25-34,36-44H,4,14,18-24H2,1-3H3/b7-5-,8-6+,11-9+,12-10+,15-13+,17-16+ |
| InChI Key | XVBIZWCWDZDOMC-UEPNLKFNSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C36H58O10 |
| Molecular Weight | 650.80 g/mol |
| Exact Mass | 650.40299804 g/mol |
| Topological Polar Surface Area (TPSA) | 188.00 Ų |
| XlogP | 4.40 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.74% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.31% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.00% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.76% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.44% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.39% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.61% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.24% | 89.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 83.07% | 96.77% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.86% | 96.95% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 82.40% | 89.34% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.91% | 86.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.54% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.10% | 93.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.03% | 90.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.16% | 95.89% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.09% | 99.23% |
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.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 146684570 |
| LOTUS | LTS0081495 |
| wikiData | Q105342766 |