Teicoplanin A2-3
| Internal ID | 32b65d9c-fedb-429b-87f2-5e5400ed7940 |
| 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)-3-(decanoylamino)-4,5-dihydroxy-6-(hydroxymethyl)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/c1-3-4-5-6-7-8-9-10-60(108)94-68-74(113)71(110)58(32-101)129-87(68)132-78-55-26-40-27-56(78)126-52-18-14-38(24-47(52)90)77(131-86-67(92-34(2)103)73(112)70(109)57(31-100)128-86)69-84(121)98-66(85(122)123)45-29-42(105)30-54(127-88-76(115)75(114)72(111)59(33-102)130-88)61(45)44-23-37(13-15-49(44)106)63(81(118)99-69)96-83(120)65(40)97-82(119)64-39-21-41(104)28-43(22-39)124-53-25-36(12-16-50(53)107)62(91)80(117)93-48(79(116)95-64)20-35-11-17-51(125-55)46(89)19-35/h11-19,21-30,48,57-59,62-77,86-88,100-102,104-107,109-115H,3-10,20,31-33,91H2,1-2H3,(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 | BJNLLBUOHPVGFT-PKMGYIMSSA-N |
| Popularity | 1,647 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 | 0.50 |
| Teichomycin A2 factor 3 |
| 6LN24Z7AMM |
| N-2-Decanoyl glucosamine teicoplanin |
| 91032-36-9 |
| 34-O-(2-(Acetylamino)-2-deoxy-beta-D-glucopyranosyl)-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-56-O-(2-deoxy-2-((1-oxodecyl)amino)-beta-D-glucopyranosyl)-42-O-alpha-D-mannopyranosylristomycin A aglycone |
| Teichomycin A2-3 |
| C13588 |
| T-A2-3 |
| UNII-6LN24Z7AMM |
| SCHEMBL874526 |
| 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 | 99.94% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.94% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 99.90% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 99.26% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.80% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.75% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 97.50% | 97.09% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 94.21% | 92.29% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 93.56% | 93.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.92% | 94.73% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 92.55% | 96.21% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 91.78% | 89.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.93% | 89.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 90.57% | 96.95% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 90.55% | 89.50% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 90.32% | 85.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.18% | 95.56% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 90.05% | 95.50% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.86% | 86.33% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 88.67% | 92.50% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 88.62% | 92.08% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.96% | 95.89% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 87.47% | 96.61% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 86.87% | 98.03% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 86.47% | 97.79% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 85.87% | 95.38% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.86% | 98.75% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.38% | 91.19% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 84.08% | 96.90% |
| CHEMBL3384 | Q16512 | Protein kinase N1 | 82.69% | 80.71% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.55% | 95.50% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 82.47% | 91.71% |
| CHEMBL3230 | O95977 | Sphingosine 1-phosphate receptor Edg-6 | 82.06% | 94.01% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.40% | 90.71% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 81.16% | 96.37% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 80.89% | 91.81% |
| CHEMBL1287628 | Q9Y5S8 | NADPH oxidase 1 | 80.04% | 95.48% |
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 | 17748671 |
| LOTUS | LTS0118989 |
| wikiData | Q27116359 |