2-[3-(2-amino-2-oxoethyl)-6-hydroxy-5,6-dimethylmorpholin-2-yl]-2-hydroxy-N-[1-(8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl)-3-methylbutyl]acetamide
| Internal ID | 83679ae9-f465-4c83-9561-9a4dc9aae769 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 2-benzopyrans |
| IUPAC Name | 2-[3-(2-amino-2-oxoethyl)-6-hydroxy-5,6-dimethylmorpholin-2-yl]-2-hydroxy-N-[1-(8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl)-3-methylbutyl]acetamide |
| SMILES (Canonical) | CC1C(OC(C(N1)CC(=O)N)C(C(=O)NC(CC(C)C)C2CC3=C(C(=CC=C3)O)C(=O)O2)O)(C)O |
| SMILES (Isomeric) | CC1C(OC(C(N1)CC(=O)N)C(C(=O)NC(CC(C)C)C2CC3=C(C(=CC=C3)O)C(=O)O2)O)(C)O |
| InChI | InChI=1S/C24H35N3O8/c1-11(2)8-14(17-9-13-6-5-7-16(28)19(13)23(32)34-17)27-22(31)20(30)21-15(10-18(25)29)26-12(3)24(4,33)35-21/h5-7,11-12,14-15,17,20-21,26,28,30,33H,8-10H2,1-4H3,(H2,25,29)(H,27,31) |
| InChI Key | RLVCRTWJOZGNEF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H35N3O8 |
| Molecular Weight | 493.50 g/mol |
| Exact Mass | 493.24241508 g/mol |
| Topological Polar Surface Area (TPSA) | 180.00 Ų |
| XlogP | 0.80 |
| There are no found synonyms. |
![2D Structure of 2-[3-(2-amino-2-oxoethyl)-6-hydroxy-5,6-dimethylmorpholin-2-yl]-2-hydroxy-N-[1-(8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl)-3-methylbutyl]acetamide](https://plantaedb.com/storage/docs/compounds/2023/11/7365df10-868d-11ee-b1d2-91fc1272e30f.jpg "2D Structure of 2-[3-(2-amino-2-oxoethyl)-6-hydroxy-5,6-dimethylmorpholin-2-yl]-2-hydroxy-N-[1-(8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl)-3-methylbutyl]acetamide")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.60% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.13% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.57% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.56% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.09% | 95.56% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 96.15% | 83.10% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.09% | 85.14% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 94.39% | 93.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.32% | 97.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.51% | 99.23% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 89.76% | 90.17% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 88.73% | 96.47% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.35% | 97.25% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 88.16% | 96.21% |
| CHEMBL5028 | O14672 | ADAM10 | 88.11% | 97.50% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.04% | 99.15% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 86.75% | 98.05% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.74% | 89.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.68% | 97.14% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 85.48% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.41% | 95.89% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 85.24% | 93.03% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.92% | 100.00% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 83.57% | 80.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.90% | 94.73% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 82.50% | 97.28% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 82.13% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.78% | 90.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.91% | 86.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.56% | 90.71% |
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 | 74350165 |
| LOTUS | LTS0133458 |
| wikiData | Q104196731 |