Edulaan
| Internal ID | 15e9495c-2f3b-4c15-8904-9a9a7923c260 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Furanoisoflavonoids > Pterocarpans |
| IUPAC Name | 6,21-dimethoxy-17,17-dimethyl-3,12,16-trioxapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),4(9),5,7,14,18,20-heptaene |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H22O5/c1-22(2)8-7-14-17(27-22)10-18-19(20(14)24-4)21-15(11-25-18)13-6-5-12(23-3)9-16(13)26-21/h5-10,15,21H,11H2,1-4H3 |
| InChI Key | NURXAZUGLCCIRI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H22O5 |
| Molecular Weight | 366.40 g/mol |
| Exact Mass | 366.14672380 g/mol |
| Topological Polar Surface Area (TPSA) | 46.20 Ų |
| XlogP | 3.90 |
| Edulenane |
| LMPK12070101 |
| 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 | 98.69% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.06% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.96% | 94.45% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 94.78% | 93.99% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 92.31% | 97.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.99% | 97.09% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 90.72% | 92.62% |
| CHEMBL240 | Q12809 | HERG | 90.44% | 89.76% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 90.05% | 93.31% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.26% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.90% | 90.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.23% | 86.33% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 86.94% | 94.03% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 86.16% | 80.96% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 85.44% | 96.77% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 84.57% | 100.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 84.38% | 95.93% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.34% | 98.75% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.47% | 99.15% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.00% | 94.00% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 82.81% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.78% | 98.95% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 82.62% | 93.18% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.58% | 95.89% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 82.46% | 89.44% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 82.10% | 94.80% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.91% | 89.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.23% | 99.17% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.76% | 91.07% |
| CHEMBL3820 | P35557 | Hexokinase type IV | 80.50% | 91.96% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.48% | 93.56% |
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 | 44257474 |
| LOTUS | LTS0135683 |
| wikiData | Q105186002 |