CID 146183753
| Internal ID | 0a1d2196-29f7-4665-85b1-1fcb72e60d73 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | 2-[15-butan-2-yl-6-[(4-methoxyphenyl)methyl]-3,10,16,19,22,28-hexamethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-9,18,24,27-tetra(propan-2-yl)-4-oxa-1,7,10,13,16,19,22,25,28-nonazabicyclo[28.4.0]tetratriacontan-21-yl]acetic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C56H89N9O14/c1-18-34(10)47-48(69)57-29-41(66)61(13)44(31(4)5)49(70)58-38(27-36-22-24-37(78-17)25-23-36)56(77)79-35(11)51(72)65-26-20-19-21-39(65)52(73)62(14)45(32(6)7)50(71)59-43(30(2)3)54(75)60(12)40(28-42(67)68)53(74)63(15)46(33(8)9)55(76)64(47)16/h22-25,30-35,38-40,43-47H,18-21,26-29H2,1-17H3,(H,57,69)(H,58,70)(H,59,71)(H,67,68) |
| InChI Key | DIYFOMLSLDLOMV-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C56H89N9O14 |
| Molecular Weight | 1112.40 g/mol |
| Exact Mass | 1111.65289855 g/mol |
| Topological Polar Surface Area (TPSA) | 282.00 Ų |
| XlogP | 5.10 |
| SCHEMBL21476999 |
| 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 | 99.72% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.72% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.71% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.52% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.70% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 94.34% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 93.73% | 90.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 93.51% | 93.00% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 92.94% | 90.24% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 91.50% | 97.05% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 90.70% | 94.66% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.64% | 97.25% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 89.54% | 96.31% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 89.49% | 82.38% |
| CHEMBL3837 | P07711 | Cathepsin L | 87.07% | 96.61% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 87.07% | 91.71% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 87.05% | 97.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.94% | 97.09% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 86.75% | 97.64% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 85.77% | 90.08% |
| CHEMBL4616 | Q92847 | Ghrelin receptor | 85.28% | 92.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.23% | 86.33% |
| CHEMBL6175 | Q9H3R0 | Lysine-specific demethylase 4C | 85.05% | 96.69% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.48% | 90.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.99% | 98.75% |
| CHEMBL2443 | P49862 | Kallikrein 7 | 83.83% | 94.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.66% | 94.00% |
| CHEMBL3024 | P53350 | Serine/threonine-protein kinase PLK1 | 82.61% | 97.43% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 82.05% | 91.03% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.28% | 90.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.34% | 99.17% |
| CHEMBL209 | P07477 | Trypsin I | 80.26% | 90.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| PubChem | 146183753 |
| LOTUS | LTS0205477 |
| wikiData | Q104981809 |