5-[(3R,3aS,6S,6aS)-6-methoxy-6-(3,4,5-trimethoxyphenyl)-3,3a,4,6a-tetrahydro-1H-furo[3,4-c]furan-3-yl]-1,3-benzodioxole
| Internal ID | 745363c1-e22e-417b-966d-a0778b261326 |
| Taxonomy | Lignans, neolignans and related compounds > Furanoid lignans |
| IUPAC Name | 5-[(3R,3aS,6S,6aS)-6-methoxy-6-(3,4,5-trimethoxyphenyl)-3,3a,4,6a-tetrahydro-1H-furo[3,4-c]furan-3-yl]-1,3-benzodioxole |
| SMILES (Canonical) | COC1=CC(=CC(=C1OC)OC)C2(C3COC(C3CO2)C4=CC5=C(C=C4)OCO5)OC |
| SMILES (Isomeric) | COC1=CC(=CC(=C1OC)OC)[C@@]2([C@@H]3CO[C@H]([C@@H]3CO2)C4=CC5=C(C=C4)OCO5)OC |
| InChI | InChI=1S/C23H26O8/c1-24-19-8-14(9-20(25-2)22(19)26-3)23(27-4)16-11-28-21(15(16)10-31-23)13-5-6-17-18(7-13)30-12-29-17/h5-9,15-16,21H,10-12H2,1-4H3/t15-,16-,21+,23-/m1/s1 |
| InChI Key | RQWOTJIYANUWKC-FLBJFFONSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C23H26O8 |
| Molecular Weight | 430.40 g/mol |
| Exact Mass | 430.16276778 g/mol |
| Topological Polar Surface Area (TPSA) | 73.80 Ų |
| XlogP | 2.50 |
| There are no found synonyms. |
![2D Structure of 5-[(3R,3aS,6S,6aS)-6-methoxy-6-(3,4,5-trimethoxyphenyl)-3,3a,4,6a-tetrahydro-1H-furo[3,4-c]furan-3-yl]-1,3-benzodioxole](https://plantaedb.com/storage/docs/compounds/2023/11/ad8f77d0-86aa-11ee-9c46-e1e4f10c3dfc.jpg "2D Structure of 5-[(3R,3aS,6S,6aS)-6-methoxy-6-(3,4,5-trimethoxyphenyl)-3,3a,4,6a-tetrahydro-1H-furo[3,4-c]furan-3-yl]-1,3-benzodioxole")
| 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 | 96.87% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.61% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.07% | 94.45% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 94.93% | 94.80% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 92.87% | 92.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.86% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.77% | 97.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 91.61% | 96.77% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.50% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.30% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.30% | 96.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.47% | 97.14% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 86.29% | 89.44% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 86.03% | 80.96% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.89% | 94.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 85.49% | 93.99% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.31% | 89.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 84.32% | 89.62% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.31% | 98.75% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 84.29% | 85.49% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 83.86% | 82.67% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 83.67% | 94.03% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 83.18% | 88.48% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.87% | 100.00% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.49% | 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.
| There are no matching plants. |
| PubChem | 162925401 |
| LOTUS | LTS0188179 |
| wikiData | Q105243803 |