[5-[2-amino-1-[[3,4-dihydroxy-6-[(2-oxoazepan-3-yl)carbamoyl]-3,4-dihydro-2H-pyran-2-yl]oxy]-2-oxoethyl]-2-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-3-yl] carbamate
| Internal ID | c640f4de-aa48-4071-92e9-5c822047f547 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Glycosylamines |
| IUPAC Name | [5-[2-amino-1-[[3,4-dihydroxy-6-[(2-oxoazepan-3-yl)carbamoyl]-3,4-dihydro-2H-pyran-2-yl]oxy]-2-oxoethyl]-2-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-3-yl] carbamate |
| SMILES (Canonical) | COC1C(C(OC1C(C(=O)N)OC2C(C(C=C(O2)C(=O)NC3CCCCNC3=O)O)O)N4C=CC(=O)NC4=O)OC(=O)N |
| SMILES (Isomeric) | COC1C(C(OC1C(C(=O)N)OC2C(C(C=C(O2)C(=O)NC3CCCCNC3=O)O)O)N4C=CC(=O)NC4=O)OC(=O)N |
| InChI | InChI=1S/C24H32N6O13/c1-39-14-15(41-21(17(14)43-23(26)37)30-7-5-12(32)29-24(30)38)16(18(25)34)42-22-13(33)10(31)8-11(40-22)20(36)28-9-4-2-3-6-27-19(9)35/h5,7-10,13-17,21-22,31,33H,2-4,6H2,1H3,(H2,25,34)(H2,26,37)(H,27,35)(H,28,36)(H,29,32,38) |
| InChI Key | LFWCXMYKHTWICM-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C24H32N6O13 |
| Molecular Weight | 612.50 g/mol |
| Exact Mass | 612.20273510 g/mol |
| Topological Polar Surface Area (TPSA) | 280.00 Ų |
| XlogP | -4.10 |
| There are no found synonyms. |
![2D Structure of [5-[2-amino-1-[[3,4-dihydroxy-6-[(2-oxoazepan-3-yl)carbamoyl]-3,4-dihydro-2H-pyran-2-yl]oxy]-2-oxoethyl]-2-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-3-yl] carbamate](https://plantaedb.com/storage/docs/compounds/2023/11/e837d070-85a5-11ee-8d9e-d5fa4e0d7bec.jpg "2D Structure of [5-[2-amino-1-[[3,4-dihydroxy-6-[(2-oxoazepan-3-yl)carbamoyl]-3,4-dihydro-2H-pyran-2-yl]oxy]-2-oxoethyl]-2-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-3-yl] carbamate")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.45% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.46% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.06% | 98.95% |
| CHEMBL204 | P00734 | Thrombin | 94.96% | 96.01% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.92% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.91% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.33% | 91.11% |
| CHEMBL3384 | Q16512 | Protein kinase N1 | 90.45% | 80.71% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 89.68% | 96.21% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.12% | 99.23% |
| CHEMBL2492 | P36544 | Neuronal acetylcholine receptor protein alpha-7 subunit | 89.08% | 88.42% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.87% | 95.89% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 85.37% | 95.93% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 85.08% | 91.03% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 85.00% | 94.33% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 84.84% | 94.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.70% | 94.00% |
| CHEMBL3137261 | O14744 | PRMT5/MEP50 complex | 83.86% | 100.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.24% | 90.00% |
| CHEMBL4101 | P17612 | cAMP-dependent protein kinase alpha-catalytic subunit | 83.20% | 82.86% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 82.55% | 93.04% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 82.31% | 83.82% |
| CHEMBL1075317 | P61964 | WD repeat-containing protein 5 | 82.15% | 96.33% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.85% | 93.03% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.24% | 100.00% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 81.18% | 83.10% |
| CHEMBL2292 | Q13627 | Dual-specificity tyrosine-phosphorylation regulated kinase 1A | 80.44% | 93.24% |
| CHEMBL2208 | P49137 | MAP kinase-activated protein kinase 2 | 80.44% | 95.20% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.21% | 98.75% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.09% | 97.25% |
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.
| Podophyllum peltatum |
| PubChem | 139583784 |
| LOTUS | LTS0258220 |
| wikiData | Q105169615 |