3,4-Bis[(3-hydroxyphenyl)methyl]oxolan-2-one
| Internal ID | f4d1f3c7-a9e3-4602-a5ec-f8d8fe274cca |
| Taxonomy | Lignans, neolignans and related compounds > Furanoid lignans > Tetrahydrofuran lignans > 9,9-epoxylignans > Dibenzylbutyrolactone lignans |
| IUPAC Name | 3,4-bis[(3-hydroxyphenyl)methyl]oxolan-2-one |
| SMILES (Canonical) | C1C(C(C(=O)O1)CC2=CC(=CC=C2)O)CC3=CC(=CC=C3)O |
| SMILES (Isomeric) | C1C(C(C(=O)O1)CC2=CC(=CC=C2)O)CC3=CC(=CC=C3)O |
| InChI | InChI=1S/C18H18O4/c19-15-5-1-3-12(8-15)7-14-11-22-18(21)17(14)10-13-4-2-6-16(20)9-13/h1-6,8-9,14,17,19-20H,7,10-11H2 |
| InChI Key | HVDGDHBAMCBBLR-UHFFFAOYSA-N |
| Popularity | 322 references in papers |
| Molecular Formula | C18H18O4 |
| Molecular Weight | 298.30 g/mol |
| Exact Mass | 298.12050905 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 3.30 |
| 3,4-bis[(3-hydroxyphenyl)methyl]oxolan-2-one |
| 76543-15-2 |
| HPMF |
| (+/-)-enterolactone |
| CHEMBL465152 |
| (+/-)-Enterolactone -13C3 |
| 2,3-bis(3'-hydroxybenzyl)butyrolactone |
| BHMDF |
| 2,3-Bhbb |
| 3,4-Bis((3-hydroxyphenyl)methyl)dihydro-2-(3H)-furanone |
| There are more than 10 synonyms. If you wish to see them all click here. |
![2D Structure of 3,4-Bis[(3-hydroxyphenyl)methyl]oxolan-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/34-bis3-hydroxyphenylmethyloxolan-2-one.jpg "2D Structure of 3,4-Bis[(3-hydroxyphenyl)methyl]oxolan-2-one")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.01% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.42% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 96.26% | 83.82% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.19% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.56% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.49% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.55% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.98% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.69% | 97.09% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.92% | 95.89% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 85.52% | 91.76% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.66% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.43% | 95.89% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 80.21% | 99.18% |
| CHEMBL3891 | P07384 | Calpain 1 | 80.14% | 93.04% |
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.
| Sesamum indicum |
| PubChem | 123917 |
| LOTUS | LTS0110410 |
| wikiData | Q81986234 |