(6aS,11aS)-10-(3-methylbut-2-enyl)-6,11a-dihydro-[1]benzofuro[3,2-c]chromene-3,6a,9-triol
| Internal ID | 1697276d-32d7-4bb4-aa7e-30a40a853776 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Furanoisoflavonoids > Pterocarpans |
| IUPAC Name | (6aS,11aS)-10-(3-methylbut-2-enyl)-6,11a-dihydro-[1]benzofuro[3,2-c]chromene-3,6a,9-triol |
| SMILES (Canonical) | CC(=CCC1=C(C=CC2=C1OC3C2(COC4=C3C=CC(=C4)O)O)O)C |
| SMILES (Isomeric) | CC(=CCC1=C(C=CC2=C1O[C@@H]3[C@]2(COC4=C3C=CC(=C4)O)O)O)C |
| InChI | InChI=1S/C20H20O5/c1-11(2)3-5-13-16(22)8-7-15-18(13)25-19-14-6-4-12(21)9-17(14)24-10-20(15,19)23/h3-4,6-9,19,21-23H,5,10H2,1-2H3/t19-,20+/m0/s1 |
| InChI Key | KCPOABHOARKIRX-VQTJNVASSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H20O5 |
| Molecular Weight | 340.40 g/mol |
| Exact Mass | 340.13107373 g/mol |
| Topological Polar Surface Area (TPSA) | 79.20 Ų |
| XlogP | 3.10 |
| There are no found synonyms. |
![2D Structure of (6aS,11aS)-10-(3-methylbut-2-enyl)-6,11a-dihydro-[1]benzofuro[3,2-c]chromene-3,6a,9-triol](https://plantaedb.com/storage/docs/compounds/2023/11/6as11as-10-3-methylbut-2-enyl-611a-dihydro-1benzofuro32-cchromene-36a9-triol.jpg "2D Structure of (6aS,11aS)-10-(3-methylbut-2-enyl)-6,11a-dihydro-[1]benzofuro[3,2-c]chromene-3,6a,9-triol")
| 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 | 99.32% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.03% | 94.45% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 94.05% | 93.40% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.64% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.09% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.29% | 100.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.82% | 99.15% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.22% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.53% | 95.89% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.47% | 94.73% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.13% | 97.09% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 84.45% | 94.80% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 83.74% | 93.10% |
| CHEMBL3286 | P00749 | Urokinase-type plasminogen activator | 83.42% | 97.88% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 83.04% | 95.93% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.78% | 95.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.21% | 98.75% |
| CHEMBL236 | P41143 | Delta opioid receptor | 81.94% | 99.35% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 81.86% | 85.00% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 81.23% | 95.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.15% | 85.14% |
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 fusca |
| PubChem | 163066883 |
| LOTUS | LTS0258401 |
| wikiData | Q105138882 |