3-Epi-Deoxynegamycin
| Internal ID | 150bf325-a9da-4ab3-81d5-4ab9e7479184 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Amino acids and derivatives > Beta amino acids and derivatives |
| IUPAC Name | 2-[[[(3S)-3,6-diaminohexanoyl]amino]-methylamino]acetic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C9H20N4O3/c1-13(6-9(15)16)12-8(14)5-7(11)3-2-4-10/h7H,2-6,10-11H2,1H3,(H,12,14)(H,15,16)/t7-/m0/s1 |
| InChI Key | GMDVGRCKPKMEFK-ZETCQYMHSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C9H20N4O3 |
| Molecular Weight | 232.28 g/mol |
| Exact Mass | 232.15354051 g/mol |
| Topological Polar Surface Area (TPSA) | 122.00 Ų |
| XlogP | -4.10 |
| CHEMBL3586512 |
| SCHEMBL16278935 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.00% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.98% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.60% | 98.95% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 91.18% | 96.47% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 88.95% | 96.95% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.40% | 91.19% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 87.24% | 97.29% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 87.17% | 90.20% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 85.98% | 94.33% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 85.61% | 100.00% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 84.21% | 100.00% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 83.03% | 98.75% |
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.
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| There are no matching plants. |
| PubChem | 42831 |
| LOTUS | LTS0197282 |
| wikiData | Q76003213 |