Actinoramide B
| Internal ID | e2a093f9-c5d2-4e72-ad78-026039a22a7a |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Hybrid peptides |
| IUPAC Name | (3S)-N-[(2S,3S,4S)-5-[[(3S)-1-acetyl-2-oxopyrrolidin-3-yl]amino]-3-hydroxy-4-methyl-5-oxo-1-phenylpentan-2-yl]-2-[(2R,3R)-3-hydroxy-2-[(2-methoxyacetyl)amino]-4-methylpentanoyl]diazinane-3-carboxamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C32H48N6O9/c1-18(2)27(41)26(36-25(40)17-47-5)32(46)38-24(12-9-14-33-38)30(44)35-23(16-21-10-7-6-8-11-21)28(42)19(3)29(43)34-22-13-15-37(20(4)39)31(22)45/h6-8,10-11,18-19,22-24,26-28,33,41-42H,9,12-17H2,1-5H3,(H,34,43)(H,35,44)(H,36,40)/t19-,22-,23-,24-,26+,27+,28-/m0/s1 |
| InChI Key | AEHYYRHLFKWEDT-SZUFJOJHSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C32H48N6O9 |
| Molecular Weight | 660.80 g/mol |
| Exact Mass | 660.34827713 g/mol |
| Topological Polar Surface Area (TPSA) | 207.00 Ų |
| XlogP | 0.60 |
| CHEMBL3633598 |
| CCG-208792 |
| 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 | 99.95% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.53% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 95.97% | 90.17% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 94.40% | 93.03% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.33% | 94.45% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 92.83% | 97.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.11% | 97.09% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 92.04% | 97.64% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.98% | 95.89% |
| CHEMBL4072 | P07858 | Cathepsin B | 91.89% | 93.67% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.51% | 97.25% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 91.33% | 98.33% |
| CHEMBL3837 | P07711 | Cathepsin L | 90.95% | 96.61% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 89.99% | 82.69% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.90% | 85.14% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 87.77% | 89.63% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 87.59% | 98.59% |
| CHEMBL5028 | O14672 | ADAM10 | 86.81% | 97.50% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 85.81% | 95.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 85.67% | 93.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.06% | 98.75% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.28% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.68% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.30% | 99.17% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 82.07% | 94.66% |
| CHEMBL1944495 | P28065 | Proteasome subunit beta type-9 | 81.89% | 97.50% |
| CHEMBL1991 | O14920 | Inhibitor of nuclear factor kappa B kinase beta subunit | 81.82% | 97.15% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.75% | 90.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.50% | 100.00% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 81.50% | 90.20% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 54589843 |
| LOTUS | LTS0217250 |
| wikiData | Q75057799 |