(5S,6S,7R)-7-(1,3-benzodioxol-5-yl)-4,5,6,9-tetramethoxy-6,7-dihydro-5H-furo[3,2-g]chromene
| Internal ID | 1b237038-86e2-4d35-8543-c5a8e55ebf1b |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > Catechins |
| IUPAC Name | (5S,6S,7R)-7-(1,3-benzodioxol-5-yl)-4,5,6,9-tetramethoxy-6,7-dihydro-5H-furo[3,2-g]chromene |
| SMILES (Canonical) | COC1C(OC2=C(C3=C(C=CO3)C(=C2C1OC)OC)OC)C4=CC5=C(C=C4)OCO5 |
| SMILES (Isomeric) | CO[C@@H]1[C@H](OC2=C(C3=C(C=CO3)C(=C2[C@@H]1OC)OC)OC)C4=CC5=C(C=C4)OCO5 |
| InChI | InChI=1S/C22H22O8/c1-23-17-12-7-8-27-18(12)22(26-4)20-15(17)19(24-2)21(25-3)16(30-20)11-5-6-13-14(9-11)29-10-28-13/h5-9,16,19,21H,10H2,1-4H3/t16-,19+,21-/m1/s1 |
| InChI Key | IRTVRUQCSNGIAC-LKUPVBHCSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H22O8 |
| Molecular Weight | 414.40 g/mol |
| Exact Mass | 414.13146766 g/mol |
| Topological Polar Surface Area (TPSA) | 77.80 Ų |
| XlogP | 3.00 |
| There are no found synonyms. |
![2D Structure of (5S,6S,7R)-7-(1,3-benzodioxol-5-yl)-4,5,6,9-tetramethoxy-6,7-dihydro-5H-furo[3,2-g]chromene](https://plantaedb.com/storage/docs/compounds/2023/11/5s6s7r-7-13-benzodioxol-5-yl-4569-tetramethoxy-67-dihydro-5h-furo32-gchromene.jpg "2D Structure of (5S,6S,7R)-7-(1,3-benzodioxol-5-yl)-4,5,6,9-tetramethoxy-6,7-dihydro-5H-furo[3,2-g]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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.50% | 91.11% |
| CHEMBL240 | Q12809 | HERG | 95.21% | 89.76% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.80% | 94.45% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.39% | 91.49% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 92.88% | 94.80% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 92.69% | 96.77% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 92.54% | 92.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.18% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.58% | 95.56% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 88.41% | 88.48% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 88.29% | 94.03% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.71% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.37% | 85.14% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 86.02% | 82.67% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.15% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.53% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.26% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.08% | 95.89% |
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.
| Lonchocarpus subglaucescens |
| PubChem | 162899217 |
| LOTUS | LTS0201932 |
| wikiData | Q105119154 |