20-hydroxyrifamycin S
| Internal ID | 6438ab6c-24c4-4617-b410-a2218df043cf |
| Taxonomy | Phenylpropanoids and polyketides > Macrolactams |
| IUPAC Name | [(7S,9E,11S,12R,13S,14R,15R,16S,17R,18R,19E,21E)-2,15,17,18-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,27,29-tetraoxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25-heptaen-13-yl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C37H45NO13/c1-16-11-10-13-36(7,47)33(44)20(5)28(41)18(3)31(50-21(6)39)17(2)24(48-9)12-14-49-37(8)34(45)27-25-23(40)15-22(38-35(16)46)30(43)26(25)29(42)19(4)32(27)51-37/h10-15,17-18,20,24,28,31,33,41-42,44,47H,1-9H3,(H,38,46)/b13-10+,14-12+,16-11+/t17-,18-,20+,24+,28+,31-,33-,36-,37+/m1/s1 |
| InChI Key | JNENPBGVIMPKJY-AKRCJVEDSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C37H45NO13 |
| Molecular Weight | 711.80 g/mol |
| Exact Mass | 711.28909049 g/mol |
| Topological Polar Surface Area (TPSA) | 215.00 Ų |
| XlogP | 2.90 |
| 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 99.58% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.42% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.57% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.13% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 95.48% | 99.23% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.51% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.52% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.79% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.34% | 94.73% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.52% | 94.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 88.16% | 96.77% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 84.33% | 96.67% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 82.48% | 97.28% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.86% | 91.07% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.11% | 86.33% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 80.56% | 94.42% |
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 | 146683147 |
| LOTUS | LTS0035588 |
| wikiData | Q105131867 |