(6aR,11aS)-9-methoxy-10-(3-methylbut-2-enyl)-6,11a-dihydro-[1]benzofuro[3,2-c]chromene-3,6a-diol
| Internal ID | 5a9a5757-8c3c-44aa-ad6f-27ab29b0e3bd |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Furanoisoflavonoids > Pterocarpans |
| IUPAC Name | (6aR,11aS)-9-methoxy-10-(3-methylbut-2-enyl)-6,11a-dihydro-[1]benzofuro[3,2-c]chromene-3,6a-diol |
| SMILES (Canonical) | CC(=CCC1=C(C=CC2=C1OC3C2(COC4=C3C=CC(=C4)O)O)OC)C |
| SMILES (Isomeric) | CC(=CCC1=C(C=CC2=C1O[C@@H]3[C@@]2(COC4=C3C=CC(=C4)O)O)OC)C |
| InChI | InChI=1S/C21H22O5/c1-12(2)4-6-14-17(24-3)9-8-16-19(14)26-20-15-7-5-13(22)10-18(15)25-11-21(16,20)23/h4-5,7-10,20,22-23H,6,11H2,1-3H3/t20-,21-/m0/s1 |
| InChI Key | ZHPYEBFYLDGZKF-SFTDATJTSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H22O5 |
| Molecular Weight | 354.40 g/mol |
| Exact Mass | 354.14672380 g/mol |
| Topological Polar Surface Area (TPSA) | 68.20 Ų |
| XlogP | 3.50 |
| There are no found synonyms. |
![2D Structure of (6aR,11aS)-9-methoxy-10-(3-methylbut-2-enyl)-6,11a-dihydro-[1]benzofuro[3,2-c]chromene-3,6a-diol](https://plantaedb.com/storage/docs/compounds/2023/11/6ar11as-9-methoxy-10-3-methylbut-2-enyl-611a-dihydro-1benzofuro32-cchromene-36a-diol.jpg "2D Structure of (6aR,11aS)-9-methoxy-10-(3-methylbut-2-enyl)-6,11a-dihydro-[1]benzofuro[3,2-c]chromene-3,6a-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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.40% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.10% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.98% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.80% | 96.09% |
| CHEMBL2535 | P11166 | Glucose transporter | 91.63% | 98.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.38% | 95.89% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.58% | 85.14% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.04% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.29% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.56% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.95% | 98.95% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 84.12% | 89.05% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.94% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.87% | 95.56% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 83.67% | 95.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.48% | 94.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.42% | 92.62% |
| CHEMBL3286 | P00749 | Urokinase-type plasminogen activator | 82.41% | 97.88% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.99% | 89.62% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 81.34% | 89.44% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.59% | 93.40% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.35% | 89.50% |
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.
| Erythrina fusca |
| PubChem | 134159029 |
| LOTUS | LTS0208761 |
| wikiData | Q105375924 |