(+)-Larreatricin
| Internal ID | 2595678a-ee41-48c3-bd14-2121fe97b7cd |
| Taxonomy | Lignans, neolignans and related compounds > Furanoid lignans > Tetrahydrofuran lignans > 7,7-epoxylignans |
| IUPAC Name | 4-[(2R,3R,4S,5R)-5-(4-hydroxyphenyl)-3,4-dimethyloxolan-2-yl]phenol |
| SMILES (Canonical) | CC1C(C(OC1C2=CC=C(C=C2)O)C3=CC=C(C=C3)O)C |
| SMILES (Isomeric) | C[C@@H]1[C@@H]([C@@H](O[C@H]1C2=CC=C(C=C2)O)C3=CC=C(C=C3)O)C |
| InChI | InChI=1S/C18H20O3/c1-11-12(2)18(14-5-9-16(20)10-6-14)21-17(11)13-3-7-15(19)8-4-13/h3-12,17-20H,1-2H3/t11-,12+,17-,18-/m1/s1 |
| InChI Key | PIBJADPEZQHMQS-FVEFGIFQSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C18H20O3 |
| Molecular Weight | 284.30 g/mol |
| Exact Mass | 284.14124450 g/mol |
| Topological Polar Surface Area (TPSA) | 49.70 Ų |
| XlogP | 3.80 |
| (2R,3R,4S,5R)-2,5-bis(4-hydroxyphenyl)-3,4-dimethyltetrahydrofuran |
| (2R,3R,4S,5R)-2,5-di(4-hydroxyphenyl)-3,4-dimethyltetrahydrofuran |
| 4,4'-[(2R,3R,4S,5R)-3,4-dimethyltetrahydrofuran-2,5-diyl]diphenol |
| SCHEMBL3486118 |
| CHEBI:67153 |
| C20430 |
| Q27135651 |
| 4-[(2R,3S,4R,5R)-5-(4-hydroxyphenyl)-3,4-dimethyloxolan-2-yl]phenol |
| 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 | 94.27% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.42% | 91.49% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.38% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.34% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.08% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.13% | 98.95% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 83.61% | 98.35% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.05% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.41% | 86.33% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 81.04% | 93.10% |
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.
| Larrea tridentata |
| Tetracentron sinense |
| PubChem | 14213223 |
| LOTUS | LTS0134709 |
| wikiData | Q27135651 |