4-[(3aR,6aR)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenol
| Internal ID | 30d6645f-57b4-4f23-b2dc-a304b41988da |
| Taxonomy | Lignans, neolignans and related compounds > Furanoid lignans |
| IUPAC Name | 4-[(3aR,6aR)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenol |
| SMILES (Canonical) | COC1=CC(=CC(=C1OC)OC)C2C3COC(C3CO2)C4=CC(=C(C=C4)O)OC |
| SMILES (Isomeric) | COC1=CC(=CC(=C1OC)OC)C2[C@H]3COC([C@H]3CO2)C4=CC(=C(C=C4)O)OC |
| InChI | InChI=1S/C22H26O7/c1-24-17-7-12(5-6-16(17)23)20-14-10-29-21(15(14)11-28-20)13-8-18(25-2)22(27-4)19(9-13)26-3/h5-9,14-15,20-21,23H,10-11H2,1-4H3/t14-,15-,20?,21?/m0/s1 |
| InChI Key | WNEWYJBAIPHOET-LDSOLPTJSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H26O7 |
| Molecular Weight | 402.40 g/mol |
| Exact Mass | 402.16785316 g/mol |
| Topological Polar Surface Area (TPSA) | 75.60 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
![2D Structure of 4-[(3aR,6aR)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenol](https://plantaedb.com/storage/docs/compounds/2023/11/2efd6df0-84a7-11ee-98c3-cb7a5b41a669.jpg "2D Structure of 4-[(3aR,6aR)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenol")
| 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 | 98.66% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.17% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.84% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.89% | 97.09% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 88.29% | 89.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.86% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.72% | 94.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.58% | 92.94% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.15% | 99.15% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 85.10% | 88.48% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.70% | 98.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.48% | 89.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.04% | 99.17% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.80% | 92.62% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.72% | 85.14% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.15% | 97.14% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.70% | 90.00% |
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.
| Artemisia arborescens |
| PubChem | 162914914 |
| LOTUS | LTS0181366 |
| wikiData | Q105309026 |