(6aR,11aR)-9-hydroxy-3-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-2-carbaldehyde
| Internal ID | 9a63bd04-bf85-4b02-aaee-83c3d8b81330 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Furanoisoflavonoids > Pterocarpans |
| IUPAC Name | (6aR,11aR)-9-hydroxy-3-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-2-carbaldehyde |
| SMILES (Canonical) | COC1=CC2=C(C=C1C=O)C3C(CO2)C4=C(O3)C=C(C=C4)O |
| SMILES (Isomeric) | COC1=CC2=C(C=C1C=O)[C@H]3[C@@H](CO2)C4=C(O3)C=C(C=C4)O |
| InChI | InChI=1S/C17H14O5/c1-20-14-6-15-12(4-9(14)7-18)17-13(8-21-15)11-3-2-10(19)5-16(11)22-17/h2-7,13,17,19H,8H2,1H3/t13-,17-/m0/s1 |
| InChI Key | PFUGIXOGOGVEAA-GUYCJALGSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H14O5 |
| Molecular Weight | 298.29 g/mol |
| Exact Mass | 298.08412354 g/mol |
| Topological Polar Surface Area (TPSA) | 65.00 Ų |
| XlogP | 2.10 |
| There are no found synonyms. |
![2D Structure of (6aR,11aR)-9-hydroxy-3-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-2-carbaldehyde](https://plantaedb.com/storage/docs/compounds/2023/11/6ar11ar-9-hydroxy-3-methoxy-6a11a-dihydro-6h-1benzofuro32-cchromene-2-carbaldehyde.jpg "2D Structure of (6aR,11aR)-9-hydroxy-3-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-2-carbaldehyde")
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.39% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.70% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.06% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.93% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.95% | 86.33% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 90.45% | 98.11% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.02% | 98.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.73% | 98.95% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 88.26% | 95.89% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 86.79% | 89.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.58% | 89.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.24% | 99.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.01% | 85.14% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.40% | 91.19% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.33% | 97.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 81.87% | 83.82% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.82% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.67% | 90.00% |
| CHEMBL3194 | P02766 | Transthyretin | 81.48% | 90.71% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.73% | 100.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.27% | 97.14% |
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 lysistemon |
| Erythrina suberosa |
| Erythrina variegata |
| Ixora chinensis |
| PubChem | 12051845 |
| LOTUS | LTS0249096 |
| wikiData | Q105212636 |