1,2-Dimethoxy-3-(12-phenyldodecyl)benzene
| Internal ID | b5a90b79-29e6-4010-a82b-5b5cc4a39ace |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Methoxybenzenes > Dimethoxybenzenes |
| IUPAC Name | 1,2-dimethoxy-3-(12-phenyldodecyl)benzene |
| SMILES (Canonical) | COC1=CC=CC(=C1OC)CCCCCCCCCCCCC2=CC=CC=C2 |
| SMILES (Isomeric) | COC1=CC=CC(=C1OC)CCCCCCCCCCCCC2=CC=CC=C2 |
| InChI | InChI=1S/C26H38O2/c1-27-25-22-16-21-24(26(25)28-2)20-15-10-8-6-4-3-5-7-9-12-17-23-18-13-11-14-19-23/h11,13-14,16,18-19,21-22H,3-10,12,15,17,20H2,1-2H3 |
| InChI Key | ZKAFFZVLVFKGQV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H38O2 |
| Molecular Weight | 382.60 g/mol |
| Exact Mass | 382.287180451 g/mol |
| Topological Polar Surface Area (TPSA) | 18.50 Ų |
| XlogP | 9.50 |
| 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 | 96.99% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.29% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.27% | 86.33% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 94.10% | 94.03% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 93.32% | 90.20% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 91.92% | 96.25% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 91.50% | 93.99% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.80% | 95.56% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 88.75% | 93.31% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 88.13% | 92.08% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.84% | 98.75% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.56% | 95.50% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.22% | 96.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.14% | 99.17% |
| CHEMBL5939 | Q9NZ08 | Endoplasmic reticulum aminopeptidase 1 | 86.13% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.47% | 91.11% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 83.04% | 94.62% |
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.
| Gluta usitata |
| Plectranthus hereroensis |
| PubChem | 14889646 |
| LOTUS | LTS0215420 |
| wikiData | Q105282099 |