3,4-Dimethyl-2,5-bis(3,4,5-trimethoxyphenyl)oxolane
| Internal ID | 29065b34-2eb3-4df3-b8cc-795fbdd77a33 |
| Taxonomy | Lignans, neolignans and related compounds > Furanoid lignans > Tetrahydrofuran lignans > 7,7-epoxylignans |
| IUPAC Name | 3,4-dimethyl-2,5-bis(3,4,5-trimethoxyphenyl)oxolane |
| SMILES (Canonical) | CC1C(C(OC1C2=CC(=C(C(=C2)OC)OC)OC)C3=CC(=C(C(=C3)OC)OC)OC)C |
| SMILES (Isomeric) | CC1C(C(OC1C2=CC(=C(C(=C2)OC)OC)OC)C3=CC(=C(C(=C3)OC)OC)OC)C |
| InChI | InChI=1S/C24H32O7/c1-13-14(2)22(16-11-19(27-5)24(30-8)20(12-16)28-6)31-21(13)15-9-17(25-3)23(29-7)18(10-15)26-4/h9-14,21-22H,1-8H3 |
| InChI Key | ZPINJJOPURFFNV-UHFFFAOYSA-N |
| Popularity | 25 references in papers |
| Molecular Formula | C24H32O7 |
| Molecular Weight | 432.50 g/mol |
| Exact Mass | 432.21480336 g/mol |
| Topological Polar Surface Area (TPSA) | 64.60 Ų |
| XlogP | 4.30 |
| 3,4-dimethyl-2,5-bis(3,4,5-trimethoxyphenyl)oxolane |
| Compound NP-024267 |
| MLS000876978 |
| MEGxp0_001262 |
| CHEMBL1377609 |
| ACon1_002138 |
| HMS2270K08 |
| 53250-50-3 |
| BCP12688 |
| AKOS040737226 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.35% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.78% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.44% | 86.33% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.53% | 97.14% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 85.18% | 94.03% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.71% | 95.56% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 84.12% | 92.98% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.00% | 94.73% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 81.84% | 96.86% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.78% | 94.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.31% | 85.14% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.84% | 99.17% |
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.
| Aglaia leptantha |
| Beilschmiedia tsangii |
| Bonamia spectabilis |
| Licaria aurea |
| Piper solmsianum |
| Rhaphidophora decursiva |
| Virola surinamensis |
| PubChem | 4485701 |
| LOTUS | LTS0161753 |
| wikiData | Q105380939 |