Deisovalerylblastmycin
| Internal ID | f1ea6a51-4d0b-41d7-93b9-553de6e07392 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Acylaminobenzoic acid and derivatives |
| IUPAC Name | N-[(2R,3S,6S,7R,8R)-8-butyl-7-hydroxy-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-3-yl]-3-formamido-2-hydroxybenzamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H28N2O8/c1-4-5-7-14-17(25)12(3)31-21(29)16(11(2)30-20(14)28)23-19(27)13-8-6-9-15(18(13)26)22-10-24/h6,8-12,14,16-17,25-26H,4-5,7H2,1-3H3,(H,22,24)(H,23,27)/t11-,12+,14-,16+,17+/m1/s1 |
| InChI Key | RQVHZRRXZBBXMY-ZMNIPVBYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C21H28N2O8 |
| Molecular Weight | 436.50 g/mol |
| Exact Mass | 436.18456586 g/mol |
| Topological Polar Surface Area (TPSA) | 151.00 Ų |
| XlogP | 2.40 |
| 60504-95-2 |
| Blastmycin, deisovalery- |
| N-((3S,4R,7R,8R,9S)-7-butyl-8-hydroxy-4,9-dimethyl-2,6-dioxo-1,5-dioxonan-3-yl)-3-formamido-2-hydroxybenzamide |
| N-(7-Butyl-8-hydroxy-4,9-dimethyl-2,6-dioxo-1,5-dioxonan-3-yl)-3-formamidosalicylamide |
| N-[(2R,3S,6S,7R,8R)-8-butyl-7-hydroxy-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-3-yl]-3-formamido-2-hydroxybenzamide |
| DTXSID50209248 |
| Salicylamide, N-(7-butyl-4,9-dimethyl-2,6-dioxo-8-hydroxy-1,5-dioxonan-3-yl)-3-formamido- |
| Benzamide, N-(7-butyl-8-hydroxy-4,9-dimethyl-2,6-dioxo-1,5-dioxonan-3-yl)-3-(formylamino)-2-hydroxy-, (3S-(3R*,4S*,7S*,8S*,9R*))- |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.30% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.45% | 91.11% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 95.25% | 89.34% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.68% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.59% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.05% | 90.17% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.94% | 99.23% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.11% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.33% | 99.17% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 87.90% | 91.49% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.02% | 93.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.91% | 98.75% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.28% | 97.25% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 84.06% | 89.63% |
| CHEMBL2096618 | P11274 | Bcr/Abl fusion protein | 81.94% | 85.83% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 81.86% | 95.58% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 81.42% | 87.67% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.25% | 94.33% |
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 | 198407 |
| LOTUS | LTS0096197 |
| wikiData | Q76084857 |