Loihichelin B
| Internal ID | a1f575dd-4b80-4383-9972-bac46f489785 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Oligopeptides |
| IUPAC Name | (2R,3R)-4-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-5-[acetyl(hydroxy)amino]-1-[[(Z)-1-[[(2R)-3-hydroxy-1-[[(3R)-1-hydroxy-2-oxopiperidin-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxobut-2-en-2-yl]amino]-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-5-amino-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-hydroxy-3-(3-hydroxydodecanoylamino)-4-oxobutanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C46H77N11O20/c1-4-6-7-8-9-10-11-14-26(62)21-35(64)55-36(37(65)46(74)75)44(72)54-33(24-60)42(70)50-29(17-18-34(47)63)40(68)53-31(22-58)41(69)49-28(15-12-19-56(76)25(3)61)39(67)48-27(5-2)38(66)52-32(23-59)43(71)51-30-16-13-20-57(77)45(30)73/h5,26,28-33,36-37,58-60,62,65,76-77H,4,6-24H2,1-3H3,(H2,47,63)(H,48,67)(H,49,69)(H,50,70)(H,51,71)(H,52,66)(H,53,68)(H,54,72)(H,55,64)(H,74,75)/b27-5-/t26?,28-,29-,30+,31+,32+,33-,36+,37+/m0/s1 |
| InChI Key | PWGQVJAUAUOVSK-CBMOHJOLSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C46H77N11O20 |
| Molecular Weight | 1104.20 g/mol |
| Exact Mass | 1103.53463389 g/mol |
| Topological Polar Surface Area (TPSA) | 495.00 Ų |
| XlogP | -4.20 |
| 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 | 99.82% | 98.95% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 97.15% | 93.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 96.99% | 90.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.80% | 96.09% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 96.79% | 98.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.58% | 99.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 96.18% | 93.56% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 96.04% | 82.69% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 95.54% | 91.81% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 94.01% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.20% | 91.11% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 92.70% | 95.00% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 92.59% | 97.29% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 92.26% | 90.08% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 92.18% | 94.66% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 91.89% | 91.19% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.13% | 94.45% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 90.95% | 95.50% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 90.92% | 96.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.36% | 97.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 90.22% | 83.82% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 89.62% | 95.38% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 89.51% | 100.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 88.74% | 100.00% |
| CHEMBL4801 | P29466 | Caspase-1 | 88.01% | 96.85% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 87.75% | 96.90% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 87.39% | 96.47% |
| CHEMBL3837 | P07711 | Cathepsin L | 86.65% | 96.61% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 86.44% | 93.10% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.38% | 99.23% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.23% | 90.71% |
| CHEMBL3776 | Q14790 | Caspase-8 | 85.84% | 97.06% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.82% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.77% | 95.56% |
| CHEMBL3024 | P53350 | Serine/threonine-protein kinase PLK1 | 85.35% | 97.43% |
| CHEMBL4296 | Q15858 | Sodium channel protein type IX alpha subunit | 84.93% | 96.11% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 84.90% | 97.64% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 84.02% | 92.32% |
| CHEMBL3629 | P68400 | Casein kinase II alpha | 83.75% | 98.89% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 83.71% | 97.50% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 82.57% | 92.86% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.45% | 94.33% |
| CHEMBL1944495 | P28065 | Proteasome subunit beta type-9 | 82.42% | 97.50% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 81.92% | 89.63% |
| CHEMBL5028 | O14672 | ADAM10 | 81.68% | 97.50% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 81.33% | 100.00% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 80.36% | 98.10% |
| CHEMBL2534 | O15530 | 3-phosphoinositide dependent protein kinase-1 | 80.01% | 95.36% |
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 | 101476231 |
| LOTUS | LTS0218668 |
| wikiData | Q77502882 |