(2-amino-4-(4-methoxyphenyl)butanoic acid)-AM toxin I
| Internal ID | 3e4c1b3f-224c-4ce2-aca3-439d8c4122b8 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | 9-[2-(4-methoxyphenyl)ethyl]-3-methyl-6-methylidene-12-propan-2-yl-1-oxa-4,7,10-triazacyclododecane-2,5,8,11-tetrone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H29N3O6/c1-12(2)18-21(28)25-17(11-8-15-6-9-16(30-5)10-7-15)20(27)23-13(3)19(26)24-14(4)22(29)31-18/h6-7,9-10,12,14,17-18H,3,8,11H2,1-2,4-5H3,(H,23,27)(H,24,26)(H,25,28) |
| InChI Key | YSONUVGWOCXRPA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H29N3O6 |
| Molecular Weight | 431.50 g/mol |
| Exact Mass | 431.20563565 g/mol |
| Topological Polar Surface Area (TPSA) | 123.00 Ų |
| XlogP | 2.70 |
| (L-Amb3)-AM toxin I |
| (2-Amino-4-(4-methoxyphenyl)butanoic acid)-AM toxin I |
| 87105-09-7 |
| (L-2-Amino-4-(p-methoxxyphenyl)butanoic acid)-AM toxin I |
| AM Toxin I, (2-amino-4-(4-methoxyphenyl)butanoic acid)- |
| RefChem:68563 |
| 9-(2-(4-methoxyphenyl)ethyl)-3-methyl-6-methylidene-12-propan-2-yl-1-oxa-4,7,10-triazacyclododecane-2,5,8,11-tetrone |
| L-Alanine, N-(2-hydroxy-3-methyl-1-oxobutyl)-gamma-(4-methoxyphenyl)-L-alpha-aminobutyryl-2,3-didehydroalanyl-, (S)- |
| DTXSID801007340 |
| 5,8,11-Trihydroxy-9-[2-(4-methoxyphenyl)ethyl]-3-methyl-6-methylidene-12-(propan-2-yl)-1-oxa-4,7,10-triazacyclododeca-4,7,10-trien-2-one |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.95% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.03% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.00% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.88% | 91.11% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 92.59% | 93.31% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.95% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.71% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.29% | 94.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 88.58% | 95.50% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.59% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.90% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.68% | 95.89% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 83.29% | 92.88% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 82.99% | 94.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 82.68% | 94.80% |
| CHEMBL1949 | P62937 | Cyclophilin A | 82.23% | 98.57% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.11% | 97.14% |
| CHEMBL5957 | P21589 | 5'-nucleotidase | 81.73% | 97.78% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.88% | 94.73% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 80.81% | 98.59% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| PubChem | 174610 |
| LOTUS | LTS0049298 |
| wikiData | Q83003314 |