Ahpatinin F
| Internal ID | 37b76146-0066-4e5b-b884-fec8df91a423 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides |
| IUPAC Name | (3R,4S)-3-hydroxy-4-[[(2S)-2-[[(3S,4R)-3-hydroxy-6-methyl-4-[[(2S)-3-methyl-2-[[(2S)-2-(3-methylbutanoylamino)-2-phenylacetyl]amino]butanoyl]amino]heptanoyl]amino]propanoyl]amino]-6-methylheptanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C37H61N5O9/c1-20(2)15-26(28(43)18-31(46)38-24(9)35(49)39-27(16-21(3)4)29(44)19-32(47)48)40-36(50)33(23(7)8)42-37(51)34(25-13-11-10-12-14-25)41-30(45)17-22(5)6/h10-14,20-24,26-29,33-34,43-44H,15-19H2,1-9H3,(H,38,46)(H,39,49)(H,40,50)(H,41,45)(H,42,51)(H,47,48)/t24-,26+,27-,28-,29+,33-,34-/m0/s1 |
| InChI Key | MRXGDZORFRGURD-NRTIAEHWSA-N |
| Popularity | 5 references in papers |
| Molecular Formula | C37H61N5O9 |
| Molecular Weight | 719.90 g/mol |
| Exact Mass | 719.44692854 g/mol |
| Topological Polar Surface Area (TPSA) | 223.00 Ų |
| XlogP | 3.30 |
| There are no found synonyms. |
| 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 | 99.80% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 99.40% | 90.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.51% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 95.14% | 83.82% |
| CHEMBL3776 | Q14790 | Caspase-8 | 94.73% | 97.06% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 93.63% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 91.49% | 93.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 90.52% | 96.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 90.26% | 98.75% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.11% | 96.09% |
| CHEMBL3308 | P55212 | Caspase-6 | 89.49% | 97.56% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.74% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.07% | 99.17% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 86.57% | 89.33% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 86.14% | 90.20% |
| CHEMBL5701 | Q9H2K8 | Serine/threonine-protein kinase TAO3 | 85.90% | 96.67% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 85.06% | 89.63% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.65% | 95.50% |
| CHEMBL2095164 | P49354 | Geranylgeranyl transferase type I | 82.09% | 92.80% |
| CHEMBL5028 | O14672 | ADAM10 | 81.94% | 97.50% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.79% | 94.73% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 81.70% | 93.31% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 80.51% | 96.47% |
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 | 139589300 |
| LOTUS | LTS0204254 |
| wikiData | Q104403745 |