Biondinin A
| Internal ID | 066dded8-242d-4dbc-b16f-fd384989ef86 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Methoxybenzenes > Dimethoxybenzenes |
| IUPAC Name | 2-(3,4-dimethoxyphenyl)-1-(hydroxymethyl)-8-methoxy-2,4,5,6-tetrahydro-1H-3-benzoxocin-9-ol |
| SMILES (Canonical) | COC1=C(C=C(C=C1)C2C(C3=CC(=C(C=C3CCCO2)OC)O)CO)OC |
| SMILES (Isomeric) | COC1=C(C=C(C=C1)C2C(C3=CC(=C(C=C3CCCO2)OC)O)CO)OC |
| InChI | InChI=1S/C21H26O6/c1-24-18-7-6-14(10-20(18)26-3)21-16(12-22)15-11-17(23)19(25-2)9-13(15)5-4-8-27-21/h6-7,9-11,16,21-23H,4-5,8,12H2,1-3H3 |
| InChI Key | WEHBLBCFYOXDFI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H26O6 |
| Molecular Weight | 374.40 g/mol |
| Exact Mass | 374.17293854 g/mol |
| Topological Polar Surface Area (TPSA) | 77.40 Ų |
| XlogP | 2.60 |
| C21H26O6 |
| C17848 |
| 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 | 98.85% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.78% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.01% | 91.11% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 95.21% | 93.99% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.78% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.31% | 97.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 94.11% | 92.94% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.29% | 98.95% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 90.26% | 88.48% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.73% | 95.56% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.98% | 92.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.48% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.89% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.75% | 94.45% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.20% | 98.75% |
| CHEMBL5555 | O00767 | Acyl-CoA desaturase | 82.45% | 97.50% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 81.74% | 85.49% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.59% | 94.00% |
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 |
| PubChem | 10547412 |
| LOTUS | LTS0022153 |
| wikiData | Q104400370 |