Lucensimycin F
| Internal ID | 26800856-3f95-4cca-9211-a678c7db08c2 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Aminosaccharides > N-acyl-alpha-hexosamines |
| IUPAC Name | 7-[(2S,3R,4aS,4bS,5'R,6R,7R,8S,8aR,10aR)-5'-[[(2S)-2-acetamido-3-[[(2R,3R,4R,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2S,3S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyoxan-3-yl]amino]-3-oxopropyl]sulfanylmethyl]-6-acetyloxy-8-hydroxy-4a,7-dimethyl-2',4,4'-trioxospiro[2,4b,5,6,7,8,8a,10a-octahydro-1H-phenanthrene-3,3'-oxolane]-2-yl]hepta-2,4,6-trienoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C46H62N2O21S/c1-18-26(66-20(3)51)14-24-23(31(18)54)12-11-21-13-22(9-7-5-6-8-10-29(52)53)46(43(64)45(21,24)4)40(62)28(68-44(46)65)17-70-16-25(47-19(2)50)41(63)48-30-33(56)32(55)27(15-49)67-42(30)69-39-37(60)35(58)34(57)36(59)38(39)61/h5-12,18,21-28,30-39,42,49,54-61H,13-17H2,1-4H3,(H,47,50)(H,48,63)(H,52,53)/t18-,21-,22+,23+,24-,25+,26+,27-,28-,30+,31+,32+,33+,34?,35-,36+,37-,38-,39?,42+,45-,46-/m0/s1 |
| InChI Key | UVXKPNMTXXZBGO-AULCHTAUSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C46H62N2O21S |
| Molecular Weight | 1011.10 g/mol |
| Exact Mass | 1010.35657816 g/mol |
| Topological Polar Surface Area (TPSA) | 408.00 Ų |
| XlogP | -2.50 |
| 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 | 98.98% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.72% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.50% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.72% | 98.95% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 91.76% | 97.14% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 90.68% | 89.50% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.29% | 99.17% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 87.90% | 95.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.33% | 89.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 87.31% | 94.33% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.13% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.89% | 90.00% |
| CHEMBL5028 | O14672 | ADAM10 | 86.37% | 97.50% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.98% | 93.56% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.59% | 91.19% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 85.51% | 94.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.37% | 97.09% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.18% | 100.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 84.89% | 92.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.88% | 95.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.99% | 90.17% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 81.81% | 95.83% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.81% | 96.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 81.79% | 95.93% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.39% | 95.89% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 80.07% | 95.38% |
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 | 139583176 |
| LOTUS | LTS0080845 |
| wikiData | Q75055304 |