Arthrichitin
| Internal ID | 76e6d63b-4973-4d04-8458-edea8173d65f |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | 3-[(3S,6S,9R,12S,13S)-13-[(2R)-decan-2-yl]-3-(hydroxymethyl)-6-(1H-indole-3-carbonyl)-12-methyl-2,5,8,11-tetraoxo-1-oxa-4,7,10-triazacyclotridec-9-yl]propanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C33H46N4O9/c1-4-5-6-7-8-9-12-19(2)29-20(3)30(42)35-24(15-16-26(39)40)31(43)37-27(32(44)36-25(18-38)33(45)46-29)28(41)22-17-34-23-14-11-10-13-21(22)23/h10-11,13-14,17,19-20,24-25,27,29,34,38H,4-9,12,15-16,18H2,1-3H3,(H,35,42)(H,36,44)(H,37,43)(H,39,40)/t19-,20+,24-,25+,27+,29+/m1/s1 |
| InChI Key | VNRAPWIEXZLTKI-ZDSZPENHSA-N |
| Popularity | 6 references in papers |
| Molecular Formula | C33H46N4O9 |
| Molecular Weight | 642.70 g/mol |
| Exact Mass | 642.32647906 g/mol |
| Topological Polar Surface Area (TPSA) | 204.00 Ų |
| XlogP | 5.00 |
| 180462-26-4 |
| Cyclo(3-hydroxy-2,4-dimethyldodecanoyl-L-alpha-glutamyl-beta-oxotryptophyl-L-seryl) |
| DTXSID50170964 |
| Cyclo(3-hydroxy-2,4-dimethyldodecanoyl-L-.alpha.-glutamyl-.beta.- oxotryptophyl-L-seryl) |
| 3-[(3S,6S,9R,12S,13S)-3-(hydroxymethyl)-6-(1H-indole-3-carbonyl)-12-methyl-13-[(1R)-1-methylnonyl]-2,5,8,11-tetraoxo-1-oxa-4,7,10-triazacyclotridec-9-yl]propanoic acid |
| 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 | 99.40% | 98.95% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 97.34% | 97.79% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.88% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.62% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.26% | 91.11% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 94.70% | 91.81% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.95% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.89% | 99.17% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 91.36% | 88.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.26% | 99.23% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 91.09% | 90.08% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.98% | 94.45% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.70% | 90.17% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 90.52% | 97.64% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 90.15% | 96.47% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 90.06% | 92.08% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 89.67% | 93.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.77% | 89.00% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 86.77% | 98.03% |
| CHEMBL5285 | Q99683 | Mitogen-activated protein kinase kinase kinase 5 | 84.85% | 92.26% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 84.18% | 96.90% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 83.81% | 89.63% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 83.78% | 94.62% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 82.67% | 97.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.44% | 100.00% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 81.81% | 96.37% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.21% | 95.50% |
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 | 492215 |
| LOTUS | LTS0130755 |
| wikiData | Q83040985 |