onnamide C
| Internal ID | 5de8721a-0342-4e2b-b34c-1e566c90481d |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Arginine and derivatives |
| IUPAC Name | (2S)-2-[[(2E,4E)-6-[(3S,6R)-6-[[(4S,4aS,6R,8S,8aR)-4-[[(2S)-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetyl]amino]-8-methoxy-7,7-dimethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-6-yl]methyl]-3-hydroxyoxan-2-yl]-6-oxohexa-2,4-dienoyl]amino]-5-(diaminomethylideneazaniumyl)pentanoate |
| SMILES (Canonical) | CC1C(OC(CC1=C)(C(C(=O)NC2C3C(C(C(C(O3)CC4CCC(C(O4)C(=O)C=CC=CC(=O)NC(CCC[NH+]=C(N)N)C(=O)[O-])O)(C)C)OC)OCO2)O)OC)C |
| SMILES (Isomeric) | C[C@H]1[C@H](O[C@](CC1=C)([C@@H](C(=O)N[C@@H]2[C@@H]3[C@@H]([C@H](C([C@H](O3)C[C@H]4CC[C@@H](C(O4)C(=O)/C=C/C=C/C(=O)N[C@@H](CCC[NH+]=C(N)N)C(=O)[O-])O)(C)C)OC)OCO2)O)OC)C |
| InChI | InChI=1S/C39H61N5O14/c1-20-18-39(53-7,58-22(3)21(20)2)32(48)34(49)44-35-31-30(54-19-55-35)33(52-6)38(4,5)27(57-31)17-23-14-15-26(46)29(56-23)25(45)12-8-9-13-28(47)43-24(36(50)51)11-10-16-42-37(40)41/h8-9,12-13,21-24,26-27,29-33,35,46,48H,1,10-11,14-19H2,2-7H3,(H,43,47)(H,44,49)(H,50,51)(H4,40,41,42)/b12-8+,13-9+/t21-,22-,23-,24+,26+,27-,29?,30+,31+,32-,33-,35+,39-/m1/s1 |
| InChI Key | VDRCSBQXNGQNBW-BQGVFEKPSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C39H61N5O14 |
| Molecular Weight | 823.90 g/mol |
| Exact Mass | 823.42150164 g/mol |
| Topological Polar Surface Area (TPSA) | 287.00 Ų |
| XlogP | 0.90 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.86% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.26% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.08% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.80% | 98.95% |
| CHEMBL204 | P00734 | Thrombin | 96.08% | 96.01% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.90% | 97.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 92.82% | 91.19% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 92.78% | 92.88% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 92.41% | 96.47% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.76% | 99.17% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 91.52% | 98.05% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.27% | 90.17% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 90.10% | 95.71% |
| CHEMBL1841 | P06241 | Tyrosine-protein kinase FYN | 89.39% | 81.29% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 88.29% | 91.24% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.20% | 92.94% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 87.91% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.75% | 95.89% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 87.60% | 91.07% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.44% | 94.73% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 87.41% | 97.79% |
| CHEMBL5251 | Q06187 | Tyrosine-protein kinase BTK | 87.10% | 98.51% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 86.90% | 95.83% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.92% | 93.56% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 85.74% | 100.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.69% | 96.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 85.60% | 95.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.56% | 89.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.54% | 97.14% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.93% | 95.89% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.63% | 90.71% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 84.60% | 94.33% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 84.47% | 97.28% |
| CHEMBL2095194 | P08709 | Coagulation factor VII/tissue factor | 84.37% | 99.17% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 83.71% | 97.47% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.37% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.99% | 95.56% |
| CHEMBL2730 | P21980 | Protein-glutamine gamma-glutamyltransferase | 82.40% | 92.38% |
| CHEMBL2664 | P23526 | Adenosylhomocysteinase | 81.85% | 86.67% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.33% | 96.90% |
| CHEMBL4101 | P17612 | cAMP-dependent protein kinase alpha-catalytic subunit | 81.06% | 82.86% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 80.80% | 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 | 138319221 |
| LOTUS | LTS0123703 |
| wikiData | Q105284332 |