Victorin B
| Internal ID | 578a5cf8-aa40-4618-970b-f074b89f061b |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Oligopeptides |
| IUPAC Name | (3S,7E)-4-[[(2S,3R)-6-amino-2-[[(2S)-5-chloro-2-[(2,2-dihydroxyacetyl)amino]-4-methylpentanoyl]amino]-3-hydroxyhexanoyl]amino]-7-(chloromethylidene)-14-hydroxy-5,8,13-trioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.3.0]pentadec-1(12)-ene-10-carboxylic acid |
| SMILES (Canonical) | CC(C)C1C(C(=O)NC(=CCl)C(=O)NC(CC2=C(O1)CC(C2=O)O)C(=O)O)NC(=O)C(C(CCCN)O)NC(=O)C(CC(C)CCl)NC(=O)C(O)O |
| SMILES (Isomeric) | CC(C)[C@H]1C(C(=O)N/C(=C/Cl)/C(=O)NC(CC2=C(O1)CC(C2=O)O)C(=O)O)NC(=O)[C@H]([C@@H](CCCN)O)NC(=O)[C@H](CC(C)CCl)NC(=O)C(O)O |
| InChI | InChI=1S/C31H46Cl2N6O13/c1-12(2)24-22(28(46)37-17(11-33)26(44)36-16(30(48)49)8-14-20(52-24)9-19(41)23(14)42)39-27(45)21(18(40)5-4-6-34)38-25(43)15(7-13(3)10-32)35-29(47)31(50)51/h11-13,15-16,18-19,21-22,24,31,40-41,50-51H,4-10,34H2,1-3H3,(H,35,47)(H,36,44)(H,37,46)(H,38,43)(H,39,45)(H,48,49)/b17-11+/t13?,15-,16?,18+,19?,21-,22?,24-/m0/s1 |
| InChI Key | QONZIYSJSHZYDF-ODCRBPDESA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C31H46Cl2N6O13 |
| Molecular Weight | 781.60 g/mol |
| Exact Mass | 780.2499909 g/mol |
| Topological Polar Surface Area (TPSA) | 316.00 Ų |
| XlogP | -3.60 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.39% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 98.30% | 90.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.43% | 91.11% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 97.14% | 92.29% |
| CHEMBL3837 | P07711 | Cathepsin L | 97.06% | 96.61% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.49% | 98.95% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 95.66% | 89.34% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 95.57% | 96.47% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.88% | 94.45% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 93.51% | 83.82% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 93.40% | 93.56% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 92.63% | 95.71% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 92.62% | 90.71% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 92.48% | 100.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 92.13% | 89.50% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.13% | 99.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.90% | 97.09% |
| CHEMBL2492 | P36544 | Neuronal acetylcholine receptor protein alpha-7 subunit | 91.83% | 88.42% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 88.87% | 100.00% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 88.86% | 98.05% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 87.96% | 98.33% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 87.38% | 96.90% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 87.17% | 96.38% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.28% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.84% | 95.89% |
| CHEMBL3776 | Q14790 | Caspase-8 | 85.59% | 97.06% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 85.16% | 95.93% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 84.73% | 98.75% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 84.63% | 94.66% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 84.55% | 90.08% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.73% | 94.33% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 83.14% | 98.03% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 82.78% | 98.59% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 82.35% | 95.56% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 82.08% | 92.88% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.07% | 93.00% |
| CHEMBL5028 | O14672 | ADAM10 | 81.39% | 97.50% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 81.17% | 97.21% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 80.35% | 92.32% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.29% | 91.07% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 80.24% | 97.64% |
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 | 139587145 |
| LOTUS | LTS0082926 |
| wikiData | Q77559098 |