cyclo[Ala-Ala-ObAla(3-nonyl)-Gly-Val-D-Leu]
| Internal ID | a9bc7c1e-28b1-4d39-bdbf-7175f6987eb9 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | (3S,6S,9R,12S)-3,6-dimethyl-9-(2-methylpropyl)-19-nonyl-12-propan-2-yl-1-oxa-4,7,10,13,16-pentazacyclononadecane-2,5,8,11,14,17-hexone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C31H55N5O7/c1-8-9-10-11-12-13-14-15-23-17-25(37)32-18-26(38)36-27(20(4)5)30(41)35-24(16-19(2)3)29(40)33-21(6)28(39)34-22(7)31(42)43-23/h19-24,27H,8-18H2,1-7H3,(H,32,37)(H,33,40)(H,34,39)(H,35,41)(H,36,38)/t21-,22-,23?,24+,27-/m0/s1 |
| InChI Key | XXWGHZMQLLKJTG-IARCRGSFSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C31H55N5O7 |
| Molecular Weight | 609.80 g/mol |
| Exact Mass | 609.41014911 g/mol |
| Topological Polar Surface Area (TPSA) | 172.00 Ų |
| XlogP | 5.00 |
| There are no found synonyms. |
![2D Structure of cyclo[Ala-Ala-ObAla(3-nonyl)-Gly-Val-D-Leu]](https://plantaedb.com/storage/docs/compounds/2023/11/cycloala-ala-obala3-nonyl-gly-val-d-leu.jpg "2D Structure of cyclo[Ala-Ala-ObAla(3-nonyl)-Gly-Val-D-Leu]")
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 99.19% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 99.15% | 98.95% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 96.81% | 90.08% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.35% | 91.11% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 94.18% | 97.79% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 94.12% | 90.24% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 93.62% | 98.03% |
| CHEMBL1949 | P62937 | Cyclophilin A | 93.41% | 98.57% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 92.62% | 92.97% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.62% | 96.09% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 92.37% | 89.63% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 90.08% | 97.29% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.98% | 94.75% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 89.58% | 88.56% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 89.54% | 93.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.87% | 97.09% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 88.73% | 94.45% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 87.40% | 91.71% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 86.11% | 97.64% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 85.98% | 98.59% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 85.63% | 95.92% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 85.24% | 94.66% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 85.05% | 89.34% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.03% | 94.73% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 85.00% | 83.10% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 84.51% | 95.50% |
| CHEMBL4296 | Q15858 | Sodium channel protein type IX alpha subunit | 84.30% | 96.11% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.76% | 96.47% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 83.68% | 94.80% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.47% | 99.17% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.31% | 90.71% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 83.19% | 91.81% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.10% | 100.00% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 82.83% | 95.00% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 82.07% | 96.90% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.90% | 97.14% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.91% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.84% | 99.23% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 80.58% | 92.12% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 80.21% | 82.38% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.12% | 96.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.09% | 94.45% |
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 | 44423145 |
| LOTUS | LTS0176178 |
| wikiData | Q105344239 |