Branimycin C
| Internal ID | 0a8fb11e-2c28-4afb-a434-657fb788e0da |
| Taxonomy | Organoheterocyclic compounds > Oxepanes |
| IUPAC Name | (1S,3R,4R,5R,6R,7S,8R,11R,12S,15S,16R,17E)-15-[(1R)-1,2-dihydroxyethyl]-4,6-dihydroxy-5,12-bis(methoxymethyl)-16,18-dimethyl-2,14-dioxatetracyclo[9.7.0.01,7.03,8]octadeca-9,17-dien-13-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C24H36O9/c1-11-7-12(2)24-16(14(9-30-3)23(29)32-21(11)17(26)8-25)6-5-13-18(24)19(27)15(10-31-4)20(28)22(13)33-24/h5-7,11,13-22,25-28H,8-10H2,1-4H3/b12-7+/t11-,13-,14-,15-,16-,17-,18+,19-,20-,21+,22-,24+/m1/s1 |
| InChI Key | QXNYWMIZBZITLF-YVOJUGOUSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C24H36O9 |
| Molecular Weight | 468.50 g/mol |
| Exact Mass | 468.23593272 g/mol |
| Topological Polar Surface Area (TPSA) | 135.00 Ų |
| XlogP | -1.20 |
| (1S,3R,4R,5R,6R,7S,8R,11R,12S,15S,16R,17E)-15-((1R)-1,2-dihydroxyethyl)-4,6-dihydroxy-5,12-bis(methoxymethyl)-16,18-dimethyl-2,14-dioxatetracyclo(9.7.0.01,7.03,8)octadeca-9,17-dien-13-one |
| (1S,3R,4R,5R,6R,7S,8R,11R,12S,15S,16R,17E)-15-[(1R)-1,2-dihydroxyethyl]-4,6-dihydroxy-5,12-bis(methoxymethyl)-16,18-dimethyl-2,14-dioxatetracyclo[9.7.0.01,7.03,8]octadeca-9,17-dien-13-one |
| RefChem:121235 |
| CHEMBL4071614 |
| CHEBI:206806 |
| 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 | 96.53% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.07% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.81% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 92.66% | 83.82% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 91.73% | 89.63% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.90% | 97.25% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.10% | 85.14% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.50% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.13% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.24% | 94.45% |
| CHEMBL1871 | P10275 | Androgen Receptor | 83.17% | 96.43% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.53% | 86.33% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.46% | 96.95% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 81.65% | 96.61% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.56% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.60% | 95.56% |
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 | 137638243 |
| LOTUS | LTS0111299 |
| wikiData | Q105229763 |