Teicoplanin A2-2
| Internal ID | 49acaf38-adbf-4a00-ba23-b8364c652b92 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Oligopeptides |
| IUPAC Name | (1S,2R,19R,22R,34S,37R,40R,52S)-2-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-22-amino-5,15-dichloro-64-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(8-methylnonanoylamino)oxan-2-yl]oxy-26,31,44,49-tetrahydroxy-21,35,38,54,56,59-hexaoxo-47-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,13,28-trioxa-20,36,39,53,55,58-hexazaundecacyclo[38.14.2.23,6.214,17.219,34.18,12.123,27.129,33.141,45.010,37.046,51]hexahexaconta-3,5,8,10,12(64),14,16,23(61),24,26,29(60),30,32,41(57),42,44,46(51),47,49,62,65-henicosaene-52-carboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C88H97Cl2N9O33/c1-33(2)8-6-4-5-7-9-60(108)94-68-74(113)71(110)58(31-101)129-87(68)132-78-55-25-40-26-56(78)126-52-17-13-38(23-47(52)90)77(131-86-67(92-34(3)103)73(112)70(109)57(30-100)128-86)69-84(121)98-66(85(122)123)45-28-42(105)29-54(127-88-76(115)75(114)72(111)59(32-102)130-88)61(45)44-22-37(12-14-49(44)106)63(81(118)99-69)96-83(120)65(40)97-82(119)64-39-20-41(104)27-43(21-39)124-53-24-36(11-15-50(53)107)62(91)80(117)93-48(79(116)95-64)19-35-10-16-51(125-55)46(89)18-35/h10-18,20-29,33,48,57-59,62-77,86-88,100-102,104-107,109-115H,4-9,19,30-32,91H2,1-3H3,(H,92,103)(H,93,117)(H,94,108)(H,95,116)(H,96,120)(H,97,119)(H,98,121)(H,99,118)(H,122,123)/t48-,57-,58-,59-,62-,63-,64+,65-,66+,67-,68-,69+,70-,71-,72-,73-,74-,75+,76+,77-,86+,87+,88+/m1/s1 |
| InChI Key | GHOXVFYORXUCPY-PKMGYIMSSA-N |
| Popularity | 5 references in papers |
| Molecular Formula | C88H97Cl2N9O33 |
| Molecular Weight | 1879.70 g/mol |
| Exact Mass | 1877.5565820 g/mol |
| Topological Polar Surface Area (TPSA) | 662.00 Ų |
| XlogP | 0.30 |
| 9V7Z6HDK93 |
| CHEBI:85251 |
| RefChem:1099424 |
| Ristomycin A aglycone, 34-O-(2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl)-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-56-O-(2-deoxy-2-((8-methyl-1-oxononyl)amino)-beta-D-glucopyranosyl)-42-O-alpha-D-mannopyranosyl- |
| (1S,2R,19R,22R,34S,37R,40R,52S)-2-((2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-22-amino-5,15-dichloro-64-((2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(8-methylnonanoylamino)oxan-2-yl)oxy-26,31,44,49-tetrahydroxy-21,35,38,54,56,59-hexaoxo-47-((2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-7,13,28-trioxa-20,36,39,53,55,58-hexazaundecacyclo(38.14.2.23,6.214,17.219,34.18,12.123,27.129,33.141,45.010,37.046,51)hexahexaconta-3,5,8,10,12(64),14,16,23(61),24,26,29(60),30,32,41(57),42,44,46(51),47,49,62,65-henicosaene-52-carboxylic acid |
| Teichomycin A2 factor 2 |
| 91032-26-7 |
| Ristomycin A aglycone, 34-O-2-(acetylamino)-2-deoxy-.beta.-D-glucopyranosyl-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-56-O-2-deoxy-2-(8-methyl-1-oxononyl)amino-.beta.-D-glucopyranosyl-42-O-.alpha.-D-mannopyranosyl- |
| Teichomycin A2 -2 |
| 34-O-(2-(Acetylamino)-2-deoxy-beta-D-glucopyranosyl)-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-56-O-(2-deoxy-2-((8-methyl-1-oxononyl)amino)-beta-D-glucopyranosyl)-42-O-alpha-D-mannopyranosylristomycin A aglycone |
| 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 |
|---|---|---|---|---|
| CHEMBL220 | P22303 | Acetylcholinesterase | 99.97% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.96% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 99.90% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 99.38% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 98.90% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.14% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 97.57% | 97.09% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 96.01% | 93.56% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 95.68% | 99.15% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.30% | 94.73% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 94.12% | 89.50% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 94.01% | 92.29% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 93.83% | 85.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 93.46% | 89.62% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 93.36% | 96.21% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 91.80% | 95.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.70% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 91.19% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.18% | 89.00% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 90.61% | 85.31% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.48% | 98.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.14% | 95.89% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 87.33% | 96.47% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 87.17% | 97.23% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.01% | 91.19% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 86.80% | 100.00% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 84.56% | 96.90% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 84.53% | 97.21% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 83.20% | 97.79% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 82.90% | 92.50% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.63% | 96.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.19% | 86.33% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 82.05% | 95.71% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 81.68% | 96.61% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.61% | 96.00% |
| CHEMBL236 | P41143 | Delta opioid receptor | 81.22% | 99.35% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.51% | 90.00% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 80.36% | 92.88% |
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 | 16198036 |
| LOTUS | LTS0078345 |
| wikiData | Q27158435 |