(6aS,11aS)-3,9,10-trimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene
| Internal ID | b8dc1f92-5989-46a9-9271-e5c38df45862 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Furanoisoflavonoids > Pterocarpans |
| IUPAC Name | (6aS,11aS)-3,9,10-trimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene |
| SMILES (Canonical) | COC1=CC2=C(C=C1)C3C(CO2)C4=C(O3)C(=C(C=C4)OC)OC |
| SMILES (Isomeric) | COC1=CC2=C(C=C1)[C@@H]3[C@H](CO2)C4=C(O3)C(=C(C=C4)OC)OC |
| InChI | InChI=1S/C18H18O5/c1-19-10-4-5-12-15(8-10)22-9-13-11-6-7-14(20-2)18(21-3)17(11)23-16(12)13/h4-8,13,16H,9H2,1-3H3/t13-,16-/m1/s1 |
| InChI Key | RFFNFQZKHNKOPO-CZUORRHYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H18O5 |
| Molecular Weight | 314.30 g/mol |
| Exact Mass | 314.11542367 g/mol |
| Topological Polar Surface Area (TPSA) | 46.20 Ų |
| XlogP | 2.90 |
| There are no found synonyms. |
![2D Structure of (6aS,11aS)-3,9,10-trimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene](https://plantaedb.com/storage/docs/compounds/2023/11/6as11as-3910-trimethoxy-6a11a-dihydro-6h-1benzofuro32-cchromene.jpg "2D Structure of (6aS,11aS)-3,9,10-trimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene")
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 95.32% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.37% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.51% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.34% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.36% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.23% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.77% | 95.89% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 87.47% | 97.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.23% | 94.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.59% | 98.75% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.25% | 92.62% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 85.36% | 93.31% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 85.26% | 94.80% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 84.73% | 100.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.01% | 96.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.30% | 99.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.18% | 90.00% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 80.71% | 94.03% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.67% | 100.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.43% | 93.99% |
| CHEMBL4349 | Q02083 | N-acylsphingosine-amidohydrolase | 80.03% | 93.00% |
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.
| Astragalus mongholicus |
| PubChem | 162868484 |
| LOTUS | LTS0210702 |
| wikiData | Q105235352 |