Paldimycin B
| Internal ID | d09e944e-f5b1-413d-9bb6-47edd354d5c9 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Hexacarboxylic acids and derivatives |
| IUPAC Name | (3S)-3-[(2R,3R,4S,5R,6R)-5-[3-[(2R)-2-acetamido-2-carboxyethyl]sulfanyl-2-[[(2R)-2-acetamido-2-carboxyethyl]sulfanylcarbothioylamino]butanoyl]oxy-6-(acetyloxymethyl)-3-hydroxy-4-[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyl-5-[(1S)-1-(2-methylpropanoyloxy)ethyl]oxan-2-yl]oxyoxan-2-yl]-2,3-dihydroxy-6-imino-5-oxocyclohexene-1-carboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C43H62N4O23S3/c1-15(2)39(60)67-18(5)43(63)17(4)66-27(10-26(43)64-9)69-33-31(52)35(42(62)11-24(51)29(44)28(34(42)53)38(58)59)68-25(12-65-21(8)50)32(33)70-40(61)30(16(3)72-13-22(36(54)55)45-19(6)48)47-41(71)73-14-23(37(56)57)46-20(7)49/h15-18,22-23,25-27,30-33,35,44,52-53,62-63H,10-14H2,1-9H3,(H,45,48)(H,46,49)(H,47,71)(H,54,55)(H,56,57)(H,58,59)/t16?,17-,18-,22-,23-,25+,26-,27-,30?,31+,32+,33-,35+,42+,43-/m0/s1 |
| InChI Key | HQSNXADXGQAEOU-RNMOKUSESA-N |
| Popularity | 5 references in papers |
| Molecular Formula | C43H62N4O23S3 |
| Molecular Weight | 1099.20 g/mol |
| Exact Mass | 1098.29669776 g/mol |
| Topological Polar Surface Area (TPSA) | 502.00 Ų |
| XlogP | -1.60 |
| 3N3B8RVK1J |
| Antibiotic 273a1.beta. |
| Antibiotic 273 A1-beta |
| 101411-71-6 |
| UNII-3N3B8RVK1J |
| SCHEMBL691985 |
| NS00011800 |
| Q27257702 |
| (3S)-3-[(2R,3R,4S,5R,6R)-5-[3-[(2R)-2-acetamido-2-carboxyethyl]sulfanyl-2-[[(2R)-2-acetamido-2-carboxyethyl]sulfanylcarbothioylamino]butanoyl]oxy-6-(acetyloxymethyl)-3-hydroxy-4-[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyl-5-[(1S)-1-(2-methylpropanoyloxy)ethyl]oxan-2-yl]oxyoxan-2-yl]-2,3-dihydroxy-6-imino-5-oxocyclohexene-1-carboxylic acid |
| 2-Amino-5-(3-O-(2,6-dideoxy-4-C-((1S)-1-hydroxyethyl)-3-O-methyl-alpha-L-lyxo-hexopyranosyl)-beta-D-allopyranosyl)-5-hydroxy-3,6-dioxo-1-cyclohexene-1-carboxylic acid, 4'-(3-(((2R)-2-acetamido-2-carboxyethyl)thio)-2-((dithiocarboxy)amino)butyrate), 6'-acetate, 4''-C-isobutyrate, S-ester with N-acetyl-L-cysteine |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 | 99.73% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.99% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.91% | 98.95% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 95.17% | 96.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.49% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.38% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.87% | 96.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 92.83% | 91.19% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.16% | 99.23% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.03% | 90.17% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 88.41% | 89.50% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 88.39% | 94.33% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 88.12% | 97.14% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 87.19% | 97.21% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.28% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.26% | 86.33% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 86.09% | 93.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.80% | 95.56% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.55% | 93.56% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.40% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.01% | 95.89% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 83.00% | 94.23% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.98% | 97.25% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 82.73% | 93.04% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 82.22% | 92.50% |
| CHEMBL5028 | O14672 | ADAM10 | 82.18% | 97.50% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 81.98% | 95.93% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.72% | 95.50% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 80.68% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.68% | 89.00% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 80.58% | 83.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.03% | 99.15% |
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 | 135565706 |
| LOTUS | LTS0073412 |
| wikiData | Q105032419 |