(6aR,11aR)-6a,11a-Dihydro-3,10-dimethoxy-6H-benzofuro[3,2-c][1]benzopyran-4,9-diol
| Internal ID | 5b919a15-f0a9-4601-afc9-f1f7644e93b7 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Furanoisoflavonoids > Pterocarpans |
| IUPAC Name | (6aR,11aR)-3,10-dimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-4,9-diol |
| SMILES (Canonical) | COC1=C(C2=C(C=C1)C3C(CO2)C4=C(O3)C(=C(C=C4)O)OC)O |
| SMILES (Isomeric) | COC1=C(C2=C(C=C1)[C@H]3[C@@H](CO2)C4=C(O3)C(=C(C=C4)O)OC)O |
| InChI | InChI=1S/C17H16O6/c1-20-12-6-4-9-14-10(7-22-15(9)13(12)19)8-3-5-11(18)17(21-2)16(8)23-14/h3-6,10,14,18-19H,7H2,1-2H3/t10-,14-/m0/s1 |
| InChI Key | AHWUIMDBTDTTRI-HZMBPMFUSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H16O6 |
| Molecular Weight | 316.30 g/mol |
| Exact Mass | 316.09468823 g/mol |
| Topological Polar Surface Area (TPSA) | 77.40 Ų |
| XlogP | 2.20 |
| (6aR,11aR)-6a,11a-Dihydro-3,10-dimethoxy-6H-benzofuro[3,2-c][1]benzopyran-4,9-diol |
| 83013-80-3 |
![2D Structure of (6aR,11aR)-6a,11a-Dihydro-3,10-dimethoxy-6H-benzofuro[3,2-c][1]benzopyran-4,9-diol](https://plantaedb.com/storage/docs/compounds/2023/11/6ar11ar-6a11a-dihydro-310-dimethoxy-6h-benzofuro32-c1benzopyran-49-diol.jpg "2D Structure of (6aR,11aR)-6a,11a-Dihydro-3,10-dimethoxy-6H-benzofuro[3,2-c][1]benzopyran-4,9-diol")
| 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 | 96.03% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.33% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.87% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.53% | 86.33% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 86.99% | 89.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.04% | 97.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.27% | 99.15% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.16% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.58% | 94.00% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 82.61% | 94.03% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.11% | 98.75% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.82% | 94.45% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.57% | 92.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.46% | 89.00% |
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.
To see more specific details click the taxa you are interested in.
| Melilotus albus |
| PubChem | 23259934 |
| LOTUS | LTS0133489 |
| wikiData | Q104912522 |