Coumabiocin E
| Internal ID | 137f6a83-4b94-479e-a554-5809c83e173f |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives > Coumarin glycosides |
| IUPAC Name | [(3R,4S,5R,6R)-5-hydroxy-6-[4-hydroxy-3-[[4-hydroxy-3-(2-hydroxy-3-methylbut-3-enyl)benzoyl]amino]-8-methyl-2-oxochromen-7-yl]oxy-3-methoxy-2,2-dimethyloxan-4-yl] carbamate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C31H36N2O12/c1-13(2)19(35)12-16-11-15(7-9-18(16)34)27(38)33-21-22(36)17-8-10-20(14(3)24(17)43-28(21)39)42-29-23(37)25(44-30(32)40)26(41-6)31(4,5)45-29/h7-11,19,23,25-26,29,34-37H,1,12H2,2-6H3,(H2,32,40)(H,33,38)/t19?,23-,25+,26-,29-/m1/s1 |
| InChI Key | NXIHCVXNQGOJKR-ORVJENOTSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C31H36N2O12 |
| Molecular Weight | 628.60 g/mol |
| Exact Mass | 628.22682459 g/mol |
| Topological Polar Surface Area (TPSA) | 216.00 Ų |
| XlogP | 2.30 |
| CHEMBL1097291 |
| 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 | 99.76% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.76% | 91.49% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 98.59% | 83.82% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 96.99% | 91.07% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 95.63% | 89.34% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 94.54% | 90.20% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 94.19% | 96.21% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.89% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.67% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 93.38% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.00% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.53% | 95.56% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 91.16% | 91.19% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.87% | 85.14% |
| CHEMBL2096618 | P11274 | Bcr/Abl fusion protein | 90.54% | 85.83% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.13% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.50% | 98.95% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 86.75% | 94.33% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 86.63% | 92.88% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 85.87% | 94.42% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.17% | 96.95% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.98% | 96.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.76% | 94.73% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.59% | 99.23% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.27% | 98.75% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 84.21% | 89.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.61% | 86.33% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.50% | 97.21% |
| CHEMBL3230 | O95977 | Sphingosine 1-phosphate receptor Edg-6 | 82.88% | 94.01% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.21% | 97.09% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.79% | 92.62% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 80.45% | 96.00% |
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 | 54734321 |
| LOTUS | LTS0234908 |
| wikiData | Q75058982 |