Ac-DL-xiThr(1)-DL-OPhe-N(Me)Dha-DL-Ala-DL-N(Me)Ala-DL-Leu(3-OH)-DL-N(Me)xiThr(Me)-(1)
| Internal ID | 68e09c61-0bf5-4017-bc13-1a662c0a67f3 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | N-[2-benzyl-14-(1-hydroxy-2-methylpropyl)-17-(1-methoxyethyl)-4,8,10,11,16,20-hexamethyl-5-methylidene-3,6,9,12,15,18,22-heptaoxo-1,19-dioxa-4,7,10,13,16-pentazacyclodocos-21-yl]acetamide |
| SMILES (Canonical) | CC1C(C(=O)OC(C(=O)N(C(=C)C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)O1)C(C)OC)C)C(C(C)C)O)C)C)C)C)CC2=CC=CC=C2)NC(=O)C |
| SMILES (Isomeric) | CC1C(C(=O)OC(C(=O)N(C(=C)C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)O1)C(C)OC)C)C(C(C)C)O)C)C)C)C)CC2=CC=CC=C2)NC(=O)C |
| InChI | InChI=1S/C38H56N6O12/c1-19(2)31(46)29-36(51)44(11)30(24(7)54-12)38(53)55-23(6)28(40-25(8)45)37(52)56-27(18-26-16-14-13-15-17-26)35(50)43(10)21(4)32(47)39-20(3)34(49)42(9)22(5)33(48)41-29/h13-17,19-20,22-24,27-31,46H,4,18H2,1-3,5-12H3,(H,39,47)(H,40,45)(H,41,48) |
| InChI Key | OJVAGUUVFINLGB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C38H56N6O12 |
| Molecular Weight | 788.90 g/mol |
| Exact Mass | 788.39562124 g/mol |
| Topological Polar Surface Area (TPSA) | 230.00 Ų |
| XlogP | 1.90 |
| 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 | 99.70% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 99.68% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.94% | 96.09% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 93.69% | 89.67% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 91.12% | 95.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.94% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.02% | 99.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.02% | 91.11% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 85.26% | 89.44% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.65% | 86.33% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.84% | 97.14% |
| CHEMBL4072 | P07858 | Cathepsin B | 82.57% | 93.67% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 82.26% | 90.08% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 82.15% | 97.64% |
| CHEMBL1949 | P62937 | Cyclophilin A | 82.12% | 98.57% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.03% | 89.50% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 81.89% | 98.59% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.24% | 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.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 72804739 |
| LOTUS | LTS0070769 |
| wikiData | Q104193435 |