2-(3,4-Dimethoxyphenyl)-5-methoxy-3-methyl-3a-prop-2-enyl-2,3,4,5,6,7-hexahydro-1-benzofuran-6,7,7a-triol
| Internal ID | ce45d031-ffa6-4389-9453-ca4176a99dab |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Methoxybenzenes > Dimethoxybenzenes |
| IUPAC Name | 2-(3,4-dimethoxyphenyl)-5-methoxy-3-methyl-3a-prop-2-enyl-2,3,4,5,6,7-hexahydro-1-benzofuran-6,7,7a-triol |
| SMILES (Canonical) | CC1C(OC2(C1(CC(C(C2O)O)OC)CC=C)O)C3=CC(=C(C=C3)OC)OC |
| SMILES (Isomeric) | CC1C(OC2(C1(CC(C(C2O)O)OC)CC=C)O)C3=CC(=C(C=C3)OC)OC |
| InChI | InChI=1S/C21H30O7/c1-6-9-20-11-16(27-5)17(22)19(23)21(20,24)28-18(12(20)2)13-7-8-14(25-3)15(10-13)26-4/h6-8,10,12,16-19,22-24H,1,9,11H2,2-5H3 |
| InChI Key | VELTYHPCXDBDBE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H30O7 |
| Molecular Weight | 394.50 g/mol |
| Exact Mass | 394.19915329 g/mol |
| Topological Polar Surface Area (TPSA) | 97.60 Ų |
| XlogP | 1.40 |
| There are no found synonyms. |
| 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 | 98.78% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.80% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.20% | 85.14% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 94.11% | 92.94% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.69% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.52% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.16% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.05% | 95.89% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.55% | 97.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.15% | 94.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.71% | 96.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.29% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.15% | 90.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.62% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.47% | 95.56% |
| CHEMBL240 | Q12809 | HERG | 80.23% | 89.76% |
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 | 163016848 |
| LOTUS | LTS0054258 |
| wikiData | Q105284678 |