(3Z,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methylidene]oxolan-2-one
| Internal ID | 3bef871f-d0bf-46fe-b68b-f98007364641 |
| Taxonomy | Lignans, neolignans and related compounds > Furanoid lignans > Tetrahydrofuran lignans > 9,9-epoxylignans > Dibenzylbutyrolactone lignans |
| IUPAC Name | (3Z,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methylidene]oxolan-2-one |
| SMILES (Canonical) | COC1=C(C=C(C=C1)CC2COC(=O)C2=CC3=CC(=C(C=C3)O)OC)OC |
| SMILES (Isomeric) | COC1=C(C=C(C=C1)C[C@H]\2COC(=O)/C2=C\C3=CC(=C(C=C3)O)OC)OC |
| InChI | InChI=1S/C21H22O6/c1-24-18-7-5-13(11-20(18)26-3)8-15-12-27-21(23)16(15)9-14-4-6-17(22)19(10-14)25-2/h4-7,9-11,15,22H,8,12H2,1-3H3/b16-9-/t15-/m0/s1 |
| InChI Key | MHLQLQUSZZCRFB-HVVQPJKBSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H22O6 |
| Molecular Weight | 370.40 g/mol |
| Exact Mass | 370.14163842 g/mol |
| Topological Polar Surface Area (TPSA) | 74.20 Ų |
| XlogP | 3.60 |
| There are no found synonyms. |
![2D Structure of (3Z,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methylidene]oxolan-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/3z4r-4-34-dimethoxyphenylmethyl-3-4-hydroxy-3-methoxyphenylmethylideneoxolan-2-one.jpg "2D Structure of (3Z,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methylidene]oxolan-2-one")
| 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 | 98.31% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.22% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.77% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.76% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.22% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.83% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.56% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.34% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.08% | 99.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.62% | 98.75% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.57% | 92.62% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 87.31% | 91.49% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.16% | 97.09% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.52% | 95.50% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 81.41% | 90.20% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.94% | 85.14% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.32% | 96.00% |
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.
| Taiwania cryptomerioides |
| PubChem | 163188214 |
| LOTUS | LTS0052305 |
| wikiData | Q105163862 |