Syringomycin
| Internal ID | 076b45e1-f365-47f8-ba1d-529547381948 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | (2S)-2-[(3S,6S,9Z,12S,15S,18S,21R,24R,27S)-18,21-bis(2-aminoethyl)-12-benzyl-3-[(1S)-2-chloro-1-hydroxyethyl]-15-[3-(diaminomethylideneamino)propyl]-9-ethylidene-27-[[(3S)-3-hydroxydodecanoyl]amino]-24-(hydroxymethyl)-2,5,8,11,14,17,20,23,26-nonaoxo-1-oxa-4,7,10,13,16,19,22,25-octazacyclooctacos-6-yl]-2-hydroxyacetic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C53H85ClN14O17/c1-3-5-6-7-8-9-13-17-30(70)25-39(72)60-37-28-85-52(84)40(38(71)26-54)67-50(81)41(42(73)51(82)83)68-43(74)31(4-2)61-47(78)35(24-29-15-11-10-12-16-29)65-44(75)32(18-14-23-59-53(57)58)62-45(76)33(19-21-55)63-46(77)34(20-22-56)64-48(79)36(27-69)66-49(37)80/h4,10-12,15-16,30,32-38,40-42,69-71,73H,3,5-9,13-14,17-28,55-56H2,1-2H3,(H,60,72)(H,61,78)(H,62,76)(H,63,77)(H,64,79)(H,65,75)(H,66,80)(H,67,81)(H,68,74)(H,82,83)(H4,57,58,59)/b31-4-/t30-,32-,33-,34+,35-,36+,37-,38+,40-,41-,42-/m0/s1 |
| InChI Key | ZQVJBRJGDVZANE-MXDMHAPNSA-N |
| Popularity | 62 references in papers |
| Molecular Formula | C53H85ClN14O17 |
| Molecular Weight | 1225.80 g/mol |
| Exact Mass | 1224.5905650 g/mol |
| Topological Polar Surface Area (TPSA) | 523.00 Ų |
| XlogP | -2.90 |
| (2S)-2-[(3S,6S,9Z,12S,15S,18S,21R,24R,27S)-18,21-bis(2-aminoethyl)-12-benzyl-3-[(1S)-2-chloro-1-hydroxyethyl]-15-[3-(diaminomethylideneamino)propyl]-9-ethylidene-27-[[(3S)-3-hydroxydodecanoyl]amino]-24-(hydroxymethyl)-2,5,8,11,14,17,20,23,26-nonaoxo-1-oxa-4,7,10,13,16,19,22,25-octazacyclooctacos-6-yl]-2-hydroxyacetic acid |
| 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 | 99.71% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 99.70% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 99.07% | 98.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 98.79% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.70% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.64% | 99.17% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 94.75% | 92.88% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 93.56% | 89.63% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.04% | 95.56% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 92.89% | 97.64% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 92.42% | 96.47% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.27% | 97.09% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 92.06% | 95.00% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 91.09% | 97.29% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 89.93% | 96.61% |
| CHEMBL2327 | P21452 | Neurokinin 2 receptor | 89.25% | 98.89% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.87% | 90.17% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 87.49% | 95.50% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.44% | 94.73% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 87.30% | 98.03% |
| CHEMBL4296 | Q15858 | Sodium channel protein type IX alpha subunit | 86.73% | 96.11% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.65% | 90.71% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 85.97% | 100.00% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 85.93% | 92.08% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 83.59% | 90.20% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.44% | 97.14% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 83.37% | 83.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 83.31% | 89.34% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 82.64% | 92.32% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 82.31% | 90.08% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 82.23% | 96.90% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 82.18% | 93.18% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.15% | 82.69% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.69% | 86.33% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.71% | 93.00% |
| CHEMBL2492 | P36544 | Neuronal acetylcholine receptor protein alpha-7 subunit | 80.32% | 88.42% |
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 | 11966095 |
| LOTUS | LTS0123401 |
| wikiData | Q105381778 |