Benthamianin
| Internal ID | 7bad50dc-e883-47a0-8eea-f5dbf9157011 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Pyranoflavonoids |
| IUPAC Name | 3,4,8,10-tetrahydroxy-9-methoxy-5H-isochromeno[4,3-b]chromen-7-one |
| SMILES (Canonical) | COC1=C(C2=C(C=C1O)OC3=C(C2=O)OCC4=C3C=CC(=C4O)O)O |
| SMILES (Isomeric) | COC1=C(C2=C(C=C1O)OC3=C(C2=O)OCC4=C3C=CC(=C4O)O)O |
| InChI | InChI=1S/C17H12O8/c1-23-16-9(19)4-10-11(13(16)21)14(22)17-15(25-10)6-2-3-8(18)12(20)7(6)5-24-17/h2-4,18-21H,5H2,1H3 |
| InChI Key | PXMLYJQOBCTZQP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H12O8 |
| Molecular Weight | 344.30 g/mol |
| Exact Mass | 344.05321734 g/mol |
| Topological Polar Surface Area (TPSA) | 126.00 Ų |
| XlogP | 2.00 |
| LMPK12113388 |
| 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 | 99.52% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.20% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.60% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.42% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.16% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.41% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.90% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.60% | 90.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.99% | 99.15% |
| CHEMBL3194 | P02766 | Transthyretin | 86.77% | 90.71% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.82% | 98.75% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.38% | 94.45% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 84.26% | 94.42% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 83.17% | 98.11% |
| CHEMBL2002 | P12268 | Inosine-5'-monophosphate dehydrogenase 2 | 82.96% | 98.21% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 80.80% | 96.67% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.22% | 90.71% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 80.09% | 95.64% |
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.
| Distemonanthus benthamianus |
| PubChem | 44260088 |
| LOTUS | LTS0256126 |
| wikiData | Q105216260 |