2-[(3,4-Dimethoxyphenyl)methyl]-5-methoxy-3-methyl-3a-prop-2-enyl-2,3,4,5,6,7-hexahydro-1-benzofuran-6,7a-diol
| Internal ID | 49f8aee8-f1ce-436a-9321-0909d3606078 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Methoxybenzenes > Dimethoxybenzenes |
| IUPAC Name | 2-[(3,4-dimethoxyphenyl)methyl]-5-methoxy-3-methyl-3a-prop-2-enyl-2,3,4,5,6,7-hexahydro-1-benzofuran-6,7a-diol |
| SMILES (Canonical) | CC1C(OC2(C1(CC(C(C2)O)OC)CC=C)O)CC3=CC(=C(C=C3)OC)OC |
| SMILES (Isomeric) | CC1C(OC2(C1(CC(C(C2)O)OC)CC=C)O)CC3=CC(=C(C=C3)OC)OC |
| InChI | InChI=1S/C22H32O6/c1-6-9-21-13-20(27-5)16(23)12-22(21,24)28-18(14(21)2)10-15-7-8-17(25-3)19(11-15)26-4/h6-8,11,14,16,18,20,23-24H,1,9-10,12-13H2,2-5H3 |
| InChI Key | WWHUYJOWBGIYJD-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H32O6 |
| Molecular Weight | 392.50 g/mol |
| Exact Mass | 392.21988874 g/mol |
| Topological Polar Surface Area (TPSA) | 77.40 Ų |
| XlogP | 2.90 |
| There are no found synonyms. |
![2D Structure of 2-[(3,4-Dimethoxyphenyl)methyl]-5-methoxy-3-methyl-3a-prop-2-enyl-2,3,4,5,6,7-hexahydro-1-benzofuran-6,7a-diol](https://plantaedb.com/storage/docs/compounds/2023/11/5c8ee8b0-853b-11ee-b91a-035eaadedb20.jpg "2D Structure of 2-[(3,4-Dimethoxyphenyl)methyl]-5-methoxy-3-methyl-3a-prop-2-enyl-2,3,4,5,6,7-hexahydro-1-benzofuran-6,7a-diol")
| 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 | 98.74% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.01% | 94.45% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 94.12% | 92.94% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.02% | 91.11% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.08% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.34% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.56% | 98.95% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.56% | 95.89% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.23% | 97.14% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.25% | 92.62% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 83.40% | 97.05% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.28% | 94.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.14% | 95.50% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.06% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.46% | 97.09% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 81.23% | 97.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.84% | 99.17% |
| CHEMBL5555 | O00767 | Acyl-CoA desaturase | 80.46% | 97.50% |
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.
| Ocotea porosa |
| PubChem | 162998268 |
| LOTUS | LTS0155967 |
| wikiData | Q105314034 |