4,5-Dimethyl-1,3-bis(3,4,5-trimethoxyphenyl)-2,6-dioxabicyclo[3.1.0]hexane
| Internal ID | dc24bd31-6ef1-4fe1-8766-7e3aa5f1fa79 |
| Taxonomy | Lignans, neolignans and related compounds > Dibenzylbutane lignans |
| IUPAC Name | 4,5-dimethyl-1,3-bis(3,4,5-trimethoxyphenyl)-2,6-dioxabicyclo[3.1.0]hexane |
| SMILES (Canonical) | CC1C(OC2(C1(O2)C)C3=CC(=C(C(=C3)OC)OC)OC)C4=CC(=C(C(=C4)OC)OC)OC |
| SMILES (Isomeric) | CC1C(OC2(C1(O2)C)C3=CC(=C(C(=C3)OC)OC)OC)C4=CC(=C(C(=C4)OC)OC)OC |
| InChI | InChI=1S/C24H30O8/c1-13-20(14-9-16(25-3)21(29-7)17(10-14)26-4)31-24(23(13,2)32-24)15-11-18(27-5)22(30-8)19(12-15)28-6/h9-13,20H,1-8H3 |
| InChI Key | VPWGVHVPLFYMJZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H30O8 |
| Molecular Weight | 446.50 g/mol |
| Exact Mass | 446.19406791 g/mol |
| Topological Polar Surface Area (TPSA) | 77.10 Ų |
| XlogP | 3.30 |
| There are no found synonyms. |
![2D Structure of 4,5-Dimethyl-1,3-bis(3,4,5-trimethoxyphenyl)-2,6-dioxabicyclo[3.1.0]hexane](https://plantaedb.com/storage/docs/compounds/2023/11/45-dimethyl-13-bis345-trimethoxyphenyl-26-dioxabicyclo310hexane.jpg "2D Structure of 4,5-Dimethyl-1,3-bis(3,4,5-trimethoxyphenyl)-2,6-dioxabicyclo[3.1.0]hexane")
| 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 | 94.87% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.70% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.36% | 96.09% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 92.27% | 97.14% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 89.62% | 94.03% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.80% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.94% | 95.56% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 86.60% | 92.98% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.10% | 94.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.75% | 96.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.34% | 98.75% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.32% | 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.
| Beilschmiedia tsangii |
| PubChem | 78074716 |
| LOTUS | LTS0130855 |
| wikiData | Q105291057 |