3,4,5-Trimethoxy-1,1'-biphenyl
| Internal ID | a51a306c-bb57-403a-8bfa-6a1c1163d0e2 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Biphenyls and derivatives |
| IUPAC Name | 1,2,3-trimethoxy-5-phenylbenzene |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C15H16O3/c1-16-13-9-12(11-7-5-4-6-8-11)10-14(17-2)15(13)18-3/h4-10H,1-3H3 |
| InChI Key | FZELAUWRSAKWRF-UHFFFAOYSA-N |
| Popularity | 8 references in papers |
| Molecular Formula | C15H16O3 |
| Molecular Weight | 244.28 g/mol |
| Exact Mass | 244.109944368 g/mol |
| Topological Polar Surface Area (TPSA) | 27.70 Ų |
| XlogP | 3.10 |
| 50816-75-6 |
| methoxy aucuparin |
| 1,1'-Biphenyl, 3,4,5-trimethoxy- |
| 3,4,5-trimethoxybiphenyl |
| SCHEMBL3537888 |
| SCHEMBL5542068 |
| SCHEMBL8420787 |
| CHEMBL1080123 |
| SCHEMBL27995633 |
| DTXSID70673043 |
| 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 |
|---|---|---|---|---|
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.83% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.43% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.23% | 96.09% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 87.97% | 93.31% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 87.64% | 95.50% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.22% | 96.00% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 85.83% | 94.03% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 85.72% | 90.20% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.97% | 98.95% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 84.00% | 92.08% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 82.17% | 93.99% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.09% | 97.14% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.81% | 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.
| Berberis koreana |
| Sorbus decora |
| PubChem | 46186838 |
| NPASS | NPC15805 |
| ChEMBL | CHEMBL1080123 |
| LOTUS | LTS0208398 |
| wikiData | Q82594385 |