(6aR,11aR)-3,9-dihydroxy-4,10-bis(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-8-carbaldehyde
| Internal ID | 45325cfc-a67a-49aa-8cf7-fe9391aaa0b5 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Furanoisoflavonoids > Pterocarpans |
| IUPAC Name | (6aR,11aR)-3,9-dihydroxy-4,10-bis(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-8-carbaldehyde |
| SMILES (Canonical) | CC(=CCC1=C(C=CC2=C1OCC3C2OC4=C3C=C(C(=C4CC=C(C)C)O)C=O)O)C |
| SMILES (Isomeric) | CC(=CCC1=C(C=CC2=C1OC[C@@H]3[C@H]2OC4=C3C=C(C(=C4CC=C(C)C)O)C=O)O)C |
| InChI | InChI=1S/C26H28O5/c1-14(2)5-7-17-22(28)10-9-19-24(17)30-13-21-20-11-16(12-27)23(29)18(8-6-15(3)4)25(20)31-26(19)21/h5-6,9-12,21,26,28-29H,7-8,13H2,1-4H3/t21-,26-/m0/s1 |
| InChI Key | VHJMOUDDGNRSFZ-LVXARBLLSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C26H28O5 |
| Molecular Weight | 420.50 g/mol |
| Exact Mass | 420.19367399 g/mol |
| Topological Polar Surface Area (TPSA) | 76.00 Ų |
| XlogP | 6.10 |
| There are no found synonyms. |
![2D Structure of (6aR,11aR)-3,9-dihydroxy-4,10-bis(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-8-carbaldehyde](https://plantaedb.com/storage/docs/compounds/2023/11/70fae760-8321-11ee-bc1a-fbb3a4b1c529.jpg "2D Structure of (6aR,11aR)-3,9-dihydroxy-4,10-bis(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-8-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.38% | 91.11% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 98.34% | 98.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.36% | 91.49% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.94% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.09% | 98.95% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 94.06% | 93.40% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.76% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.99% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.14% | 86.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.11% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.78% | 89.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.50% | 99.15% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.45% | 85.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.22% | 95.89% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 83.79% | 83.10% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.31% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.35% | 96.09% |
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 |
| PubChem | 44606521 |
| LOTUS | LTS0086510 |
| wikiData | Q105286462 |