(2R,3R,4R)-3-(1,3-Benzodioxol-5-ylmethyl)-4-[(3,4-dimethoxyphenyl)methyl]tetrahydro-2-furanol
| Internal ID | e08b1319-031a-48b7-91eb-cf5856f928da |
| Taxonomy | Lignans, neolignans and related compounds > Furanoid lignans > Tetrahydrofuran lignans > 9,9-epoxylignans > Dibenzylbutyrolactols |
| IUPAC Name | (2R,3R,4R)-3-(1,3-benzodioxol-5-ylmethyl)-4-[(3,4-dimethoxyphenyl)methyl]oxolan-2-ol |
| SMILES (Canonical) | COC1=C(C=C(C=C1)CC2COC(C2CC3=CC4=C(C=C3)OCO4)O)OC |
| SMILES (Isomeric) | COC1=C(C=C(C=C1)C[C@H]2CO[C@H]([C@@H]2CC3=CC4=C(C=C3)OCO4)O)OC |
| InChI | InChI=1S/C21H24O6/c1-23-17-5-3-13(9-19(17)24-2)7-15-11-25-21(22)16(15)8-14-4-6-18-20(10-14)27-12-26-18/h3-6,9-10,15-16,21-22H,7-8,11-12H2,1-2H3/t15-,16+,21+/m0/s1 |
| InChI Key | VHLUROMCVXTWNM-GCKMJXCFSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H24O6 |
| Molecular Weight | 372.40 g/mol |
| Exact Mass | 372.15728848 g/mol |
| Topological Polar Surface Area (TPSA) | 66.40 Ų |
| XlogP | 3.50 |
| (2R,3R,4R)-3-(1,3-Benzodioxol-5-ylmethyl)-4-[(3,4-dimethoxyphenyl)methyl]tetrahydro-2-furanol |
| 67533-86-2 |
![2D Structure of (2R,3R,4R)-3-(1,3-Benzodioxol-5-ylmethyl)-4-[(3,4-dimethoxyphenyl)methyl]tetrahydro-2-furanol](https://plantaedb.com/storage/docs/compounds/2023/11/2r3r4r-3-13-benzodioxol-5-ylmethyl-4-34-dimethoxyphenylmethyltetrahydro-2-furanol.jpg "2D Structure of (2R,3R,4R)-3-(1,3-Benzodioxol-5-ylmethyl)-4-[(3,4-dimethoxyphenyl)methyl]tetrahydro-2-furanol")
| 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 | 97.57% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.31% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.15% | 91.11% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 94.01% | 92.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.12% | 98.95% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 92.61% | 96.77% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.38% | 86.33% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 89.67% | 94.80% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.99% | 95.89% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.87% | 85.14% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 88.77% | 96.76% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.76% | 99.17% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.28% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.60% | 90.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 83.83% | 89.62% |
| CHEMBL5555 | O00767 | Acyl-CoA desaturase | 82.90% | 97.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.27% | 97.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.69% | 92.94% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 81.34% | 85.49% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.23% | 97.14% |
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.
| Piper nigrum |
| Virola venosa |
| PubChem | 162892520 |
| LOTUS | LTS0204611 |
| wikiData | Q105286486 |