4-[(4-Hydroxy-3-methoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methylidene]oxolan-2-one
Internal ID | bcdb5e3a-0ba7-490b-a4ac-c8154ee3fd5c |
Taxonomy | Lignans, neolignans and related compounds > Furanoid lignans > Tetrahydrofuran lignans > 9,9-epoxylignans > Dibenzylbutyrolactone lignans |
IUPAC Name | 4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methylidene]oxolan-2-one |
SMILES (Canonical) | COC1=C(C=CC(=C1)CC2COC(=O)C2=CC3=CC(=C(C=C3)O)OC)O |
SMILES (Isomeric) | COC1=C(C=CC(=C1)CC2COC(=O)C2=CC3=CC(=C(C=C3)O)OC)O |
InChI | InChI=1S/C20H20O6/c1-24-18-9-12(3-5-16(18)21)7-14-11-26-20(23)15(14)8-13-4-6-17(22)19(10-13)25-2/h3-6,8-10,14,21-22H,7,11H2,1-2H3 |
InChI Key | RJVKWKAOIHNOQD-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C20H20O6 |
Molecular Weight | 356.40 g/mol |
Exact Mass | 356.12598835 g/mol |
Topological Polar Surface Area (TPSA) | 85.20 Ų |
XlogP | 3.20 |
There are no found synonyms. |
![2D Structure of 4-[(4-Hydroxy-3-methoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methylidene]oxolan-2-one 2D Structure of 4-[(4-Hydroxy-3-methoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methylidene]oxolan-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/4-4-hydroxy-3-methoxyphenylmethyl-3-4-hydroxy-3-methoxyphenylmethylideneoxolan-2-one.jpg)
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 | 99.07% | 91.11% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.96% | 95.56% |
CHEMBL2581 | P07339 | Cathepsin D | 95.06% | 98.95% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.68% | 94.45% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.09% | 86.33% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.73% | 96.09% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 90.47% | 92.62% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.45% | 89.00% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.68% | 99.17% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.56% | 95.89% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 87.05% | 91.49% |
CHEMBL2535 | P11166 | Glucose transporter | 85.98% | 98.75% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.79% | 97.09% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.78% | 95.50% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.78% | 85.14% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.01% | 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.
Bupleurum salicifolium |
PubChem | 73826560 |
LOTUS | LTS0204883 |
wikiData | Q104403770 |