Robustic acid methyl ether
| Internal ID | 11848121-eb52-4f9c-a790-efb9dc2b54e2 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflav-3-enes > Isoflav-3-enones |
| IUPAC Name | 5,6-dimethoxy-7-(4-methoxyphenyl)-2,2-dimethylpyrano[3,2-g]chromen-8-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H22O6/c1-23(2)11-10-15-16(29-23)12-17-19(20(15)26-4)21(27-5)18(22(24)28-17)13-6-8-14(25-3)9-7-13/h6-12H,1-5H3 |
| InChI Key | UPHWJAWTGRBPAJ-UHFFFAOYSA-N |
| Popularity | 6 references in papers |
| Molecular Formula | C23H22O6 |
| Molecular Weight | 394.40 g/mol |
| Exact Mass | 394.14163842 g/mol |
| Topological Polar Surface Area (TPSA) | 63.20 Ų |
| XlogP | 4.10 |
| Methyl robustate |
| KBio2_003602 |
| Spectrum_000554 |
| SpecPlus_000621 |
| Spectrum2_001801 |
| Spectrum3_001257 |
| Spectrum4_001591 |
| Spectrum5_000302 |
| BSPBio_002794 |
| KBioGR_002202 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 | 98.43% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.45% | 94.45% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.90% | 94.00% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 95.38% | 80.96% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 94.46% | 93.31% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.89% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.57% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.82% | 86.33% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 91.75% | 96.77% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.80% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.66% | 90.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.93% | 99.15% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.53% | 89.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 87.26% | 97.14% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 86.85% | 86.92% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 86.52% | 96.67% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 86.18% | 85.30% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 84.64% | 95.53% |
| CHEMBL240 | Q12809 | HERG | 84.41% | 89.76% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 84.35% | 93.99% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.15% | 94.73% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.56% | 92.62% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 82.50% | 94.80% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 82.49% | 87.67% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.33% | 99.17% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.17% | 95.50% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.06% | 98.75% |
| CHEMBL2292 | Q13627 | Dual-specificity tyrosine-phosphorylation regulated kinase 1A | 80.25% | 93.24% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 80.02% | 95.71% |
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.
To see more specific details click the taxa you are interested in.
| Deguelia hatschbachii |
| PubChem | 4262362 |
| LOTUS | LTS0082492 |
| wikiData | Q105276811 |