cyclo[N(Me)Ile-D-OVal-D-N(Me)Val-D-OVal-N(Me)Val-D-OVal]
| Internal ID | 89902ec2-9201-42dc-9d4e-5a8a70461d55 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | (3S,6R,9S,12R,15R,18R)-3-[(2S)-butan-2-yl]-4,10,16-trimethyl-6,9,12,15,18-penta(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C34H59N3O9/c1-16-22(12)25-34(43)46-27(20(8)9)30(39)36(14)23(17(2)3)32(41)44-26(19(6)7)29(38)35(13)24(18(4)5)33(42)45-28(21(10)11)31(40)37(25)15/h17-28H,16H2,1-15H3/t22-,23+,24-,25-,26+,27+,28+/m0/s1 |
| InChI Key | UQCSETXJXJTMKO-XTXCQKKVSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C34H59N3O9 |
| Molecular Weight | 653.80 g/mol |
| Exact Mass | 653.42513047 g/mol |
| Topological Polar Surface Area (TPSA) | 140.00 Ų |
| XlogP | 6.90 |
| There are no found synonyms. |
![2D Structure of cyclo[N(Me)Ile-D-OVal-D-N(Me)Val-D-OVal-N(Me)Val-D-OVal]](https://plantaedb.com/storage/docs/compounds/2023/11/cyclonmeile-d-oval-d-nmeval-d-oval-nmeval-d-oval.jpg "2D Structure of cyclo[N(Me)Ile-D-OVal-D-N(Me)Val-D-OVal-N(Me)Val-D-OVal]")
| 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 | 98.16% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.08% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.88% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.78% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.81% | 95.56% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 83.32% | 91.76% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 83.17% | 98.59% |
| CHEMBL1949 | P62937 | Cyclophilin A | 82.92% | 98.57% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.07% | 93.56% |
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 | 163191319 |
| LOTUS | LTS0073752 |
| wikiData | Q105277157 |