Maremycin A
| Internal ID | 98ae7b92-ea17-4dd9-a4b2-4ba23fcac0c6 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives |
| IUPAC Name | (3S,6R)-3-[(1R)-1-[(3S)-3-hydroxy-1-methyl-2-oxoindol-3-yl]ethyl]-6-(methylsulfanylmethyl)piperazine-2,5-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C17H21N3O4S/c1-9(13-15(22)18-11(8-25-3)14(21)19-13)17(24)10-6-4-5-7-12(10)20(2)16(17)23/h4-7,9,11,13,24H,8H2,1-3H3,(H,18,22)(H,19,21)/t9-,11+,13+,17+/m1/s1 |
| InChI Key | AQJPUORWMCOONW-RDFWBEMPSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C17H21N3O4S |
| Molecular Weight | 363.40 g/mol |
| Exact Mass | 363.12527733 g/mol |
| Topological Polar Surface Area (TPSA) | 124.00 Ų |
| XlogP | 0.20 |
| CHEBI:188533 |
| (3S,6R)-3-[(1R)-1-[(3S)-3-hydroxy-1-methyl-2-oxoindol-3-yl]ethyl]-6-(methylsulanylmethyl)piperazine-2,5-dione |
| (3S,6R)-3-[(1R)-1-[(3S)-3-Hydroxy-1-methyl-2-oxoindol-3-yl]ethyl]-6-(methylsulfanylmethyl)piperazine-2,5-dione |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.91% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.59% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.44% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.03% | 91.11% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.74% | 94.75% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 86.52% | 88.56% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.09% | 82.69% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.90% | 85.14% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.30% | 90.00% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 84.78% | 95.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.85% | 97.09% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 82.62% | 96.47% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 82.26% | 95.93% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 81.10% | 90.08% |
| CHEMBL222 | P23975 | Norepinephrine transporter | 80.57% | 96.06% |
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 | 10473900 |
| LOTUS | LTS0103402 |
| wikiData | Q104916887 |