Neoviridogrisein II
| Internal ID | 9d146f30-e164-47d2-8205-6c31bd4c036e |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | 3-hydroxy-N-[7,11,13,17,20-pentamethyl-16-(3-methylbutan-2-yl)-3-(2-methylpropyl)-2,5,9,12,15,18,21-heptaoxo-10-phenyl-8-oxa-1,4,11,14,17,20-hexazabicyclo[20.3.0]pentacosan-6-yl]pyridine-2-carboxamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C44H62N8O10/c1-24(2)22-30-42(59)52-21-15-18-31(52)43(60)49(8)23-33(54)50(9)36(26(5)25(3)4)40(57)46-27(6)41(58)51(10)37(29-16-12-11-13-17-29)44(61)62-28(7)34(38(55)47-30)48-39(56)35-32(53)19-14-20-45-35/h11-14,16-17,19-20,24-28,30-31,34,36-37,53H,15,18,21-23H2,1-10H3,(H,46,57)(H,47,55)(H,48,56) |
| InChI Key | XMKLKZFSQXZUQU-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C44H62N8O10 |
| Molecular Weight | 863.00 g/mol |
| Exact Mass | 862.45889020 g/mol |
| Topological Polar Surface Area (TPSA) | 228.00 Ų |
| XlogP | 4.10 |
| 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 | 99.47% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 99.46% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.97% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 94.95% | 99.23% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 93.56% | 96.31% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 92.90% | 93.56% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.06% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.34% | 97.25% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 89.13% | 92.12% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 88.69% | 92.97% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.25% | 89.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 84.86% | 93.03% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.86% | 91.11% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.72% | 95.89% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 84.27% | 82.38% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.07% | 97.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.21% | 90.17% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.43% | 90.71% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.79% | 99.15% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 81.45% | 97.05% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 80.81% | 92.67% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.68% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.01% | 94.73% |
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 | 12800562 |
| LOTUS | LTS0041301 |
| wikiData | Q105331173 |