4-[(2R,3R)-3-(hydroxymethyl)-5-methoxy-7-[2-(4-methoxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxin-2-yl]-2,6-dimethoxyphenol
| Internal ID | 7ac0dfa9-3b95-464c-8aab-95657d8f153c |
| Taxonomy | Organoheterocyclic compounds > Benzodioxanes > Phenylbenzodioxanes > Phenylbenzo-1,4-dioxanes |
| IUPAC Name | 4-[(2R,3R)-3-(hydroxymethyl)-5-methoxy-7-[2-(4-methoxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxin-2-yl]-2,6-dimethoxyphenol |
| SMILES (Canonical) | COC1=CC=C(C=C1)CCC2=CC3=C(C(=C2)OC)OC(C(O3)C4=CC(=C(C(=C4)OC)O)OC)CO |
| SMILES (Isomeric) | COC1=CC=C(C=C1)CCC2=CC3=C(C(=C2)OC)O[C@@H]([C@H](O3)C4=CC(=C(C(=C4)OC)O)OC)CO |
| InChI | InChI=1S/C27H30O8/c1-30-19-9-7-16(8-10-19)5-6-17-11-22(33-4)27-23(12-17)34-26(24(15-28)35-27)18-13-20(31-2)25(29)21(14-18)32-3/h7-14,24,26,28-29H,5-6,15H2,1-4H3/t24-,26-/m1/s1 |
| InChI Key | SPZSVQMZSYYYEO-AOYPEHQESA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H30O8 |
| Molecular Weight | 482.50 g/mol |
| Exact Mass | 482.19406791 g/mol |
| Topological Polar Surface Area (TPSA) | 95.80 Ų |
| XlogP | 4.30 |
| There are no found synonyms. |
![2D Structure of 4-[(2R,3R)-3-(hydroxymethyl)-5-methoxy-7-[2-(4-methoxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxin-2-yl]-2,6-dimethoxyphenol](https://plantaedb.com/storage/docs/compounds/2023/11/3a16f1f0-87e2-11ee-8372-6d5c5cb722f7.jpg "2D Structure of 4-[(2R,3R)-3-(hydroxymethyl)-5-methoxy-7-[2-(4-methoxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxin-2-yl]-2,6-dimethoxyphenol")
| 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 | 99.17% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.25% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.30% | 85.14% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 93.47% | 86.92% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.51% | 98.95% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 92.23% | 92.62% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.09% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.05% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.48% | 97.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.24% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.62% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.80% | 95.89% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 85.99% | 95.50% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 85.28% | 96.09% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.00% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.17% | 90.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.28% | 94.45% |
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.
| Dendrobium moniliforme |
| PubChem | 163049054 |
| LOTUS | LTS0145321 |
| wikiData | Q105257708 |