(3,4-Dimethoxyphenyl)-[5-(3,4-dimethoxyphenyl)-4-methyloxolan-3-yl]methanol
Internal ID | 3d74c553-0e54-4e88-8060-82514263bf62 |
Taxonomy | Lignans, neolignans and related compounds > Furanoid lignans > Tetrahydrofuran lignans > 7,9-epoxylignans |
IUPAC Name | (3,4-dimethoxyphenyl)-[5-(3,4-dimethoxyphenyl)-4-methyloxolan-3-yl]methanol |
SMILES (Canonical) | CC1C(COC1C2=CC(=C(C=C2)OC)OC)C(C3=CC(=C(C=C3)OC)OC)O |
SMILES (Isomeric) | CC1C(COC1C2=CC(=C(C=C2)OC)OC)C(C3=CC(=C(C=C3)OC)OC)O |
InChI | InChI=1S/C22H28O6/c1-13-16(21(23)14-6-8-17(24-2)19(10-14)26-4)12-28-22(13)15-7-9-18(25-3)20(11-15)27-5/h6-11,13,16,21-23H,12H2,1-5H3 |
InChI Key | NQIZHOSVGAVBIP-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C22H28O6 |
Molecular Weight | 388.50 g/mol |
Exact Mass | 388.18858861 g/mol |
Topological Polar Surface Area (TPSA) | 66.40 Ų |
XlogP | 3.20 |
There are no found synonyms. |
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 | 97.46% | 96.09% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.35% | 85.14% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.96% | 91.11% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.88% | 97.09% |
CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 89.42% | 100.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.34% | 86.33% |
CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 88.34% | 89.62% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.05% | 92.94% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.88% | 95.56% |
CHEMBL2581 | P07339 | Cathepsin D | 86.20% | 98.95% |
CHEMBL2535 | P11166 | Glucose transporter | 84.14% | 98.75% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.09% | 95.89% |
CHEMBL4208 | P20618 | Proteasome component C5 | 83.00% | 90.00% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.63% | 97.14% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.62% | 89.00% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.19% | 99.17% |
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.
Magnolia biondii |
Magnolia stellata |
PubChem | 129115822 |
LOTUS | LTS0252157 |
wikiData | Q105183898 |