(6aR,11aR)-8,9-dimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-ol
| Internal ID | f61b56f1-7616-4322-b6b1-b928513f0530 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Furanoisoflavonoids > Pterocarpans |
| IUPAC Name | (6aR,11aR)-8,9-dimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-ol |
| SMILES (Canonical) | COC1=C(C=C2C(=C1)C3COC4=C(C3O2)C=CC(=C4)O)OC |
| SMILES (Isomeric) | COC1=C(C=C2C(=C1)[C@@H]3COC4=C([C@@H]3O2)C=CC(=C4)O)OC |
| InChI | InChI=1S/C17H16O5/c1-19-15-6-11-12-8-21-13-5-9(18)3-4-10(13)17(12)22-14(11)7-16(15)20-2/h3-7,12,17-18H,8H2,1-2H3/t12-,17-/m0/s1 |
| InChI Key | ICUCUXZJAYHKLS-SJCJKPOMSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C17H16O5 |
| Molecular Weight | 300.30 g/mol |
| Exact Mass | 300.09977361 g/mol |
| Topological Polar Surface Area (TPSA) | 57.20 Ų |
| XlogP | 2.60 |
| CHEMBL239005 |
![2D Structure of (6aR,11aR)-8,9-dimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-ol](https://plantaedb.com/storage/docs/compounds/2023/07/6ar11ar-89-dimethoxy-6a11a-dihydro-6h-1benzofuro32-cchromen-3-ol.jpg "2D Structure of (6aR,11aR)-8,9-dimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-ol")
| 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 | 95.18% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.13% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.65% | 86.33% |
| CHEMBL2535 | P11166 | Glucose transporter | 90.34% | 98.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.95% | 95.56% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 89.13% | 83.82% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.25% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.86% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.43% | 98.95% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 84.84% | 89.62% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.61% | 99.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.87% | 95.89% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.82% | 97.14% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.73% | 92.94% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.74% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.49% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.91% | 89.00% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 80.52% | 100.00% |
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.
| Dermatophyllum secundiflorum |
| Erycibe expansa |
| Robinia pseudoacacia |
| PubChem | 44437740 |
| NPASS | NPC27495 |
| ChEMBL | CHEMBL239005 |
| LOTUS | LTS0013005 |
| wikiData | Q105111172 |