1,3-dimethoxy-5-[(E)-prop-1-enyl]-2-[(2S)-1-(3,4,5-trimethoxyphenyl)propan-2-yl]oxybenzene
| Internal ID | e89dd6ac-9f3a-4933-8404-867843a0c3a8 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Methoxybenzenes > Dimethoxybenzenes |
| IUPAC Name | 1,3-dimethoxy-5-[(E)-prop-1-enyl]-2-[(2S)-1-(3,4,5-trimethoxyphenyl)propan-2-yl]oxybenzene |
| SMILES (Canonical) | CC=CC1=CC(=C(C(=C1)OC)OC(C)CC2=CC(=C(C(=C2)OC)OC)OC)OC |
| SMILES (Isomeric) | C/C=C/C1=CC(=C(C(=C1)OC)O[C@@H](C)CC2=CC(=C(C(=C2)OC)OC)OC)OC |
| InChI | InChI=1S/C23H30O6/c1-8-9-16-11-20(26-5)23(21(12-16)27-6)29-15(2)10-17-13-18(24-3)22(28-7)19(14-17)25-4/h8-9,11-15H,10H2,1-7H3/b9-8+/t15-/m0/s1 |
| InChI Key | KSYLISCRMLSHDL-HVHJFMEUSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H30O6 |
| Molecular Weight | 402.50 g/mol |
| Exact Mass | 402.20423867 g/mol |
| Topological Polar Surface Area (TPSA) | 55.40 Ų |
| XlogP | 5.10 |
| There are no found synonyms. |
![2D Structure of 1,3-dimethoxy-5-[(E)-prop-1-enyl]-2-[(2S)-1-(3,4,5-trimethoxyphenyl)propan-2-yl]oxybenzene](https://plantaedb.com/storage/docs/compounds/2023/11/13-dimethoxy-5-e-prop-1-enyl-2-2s-1-345-trimethoxyphenylpropan-2-yloxybenzene.jpg "2D Structure of 1,3-dimethoxy-5-[(E)-prop-1-enyl]-2-[(2S)-1-(3,4,5-trimethoxyphenyl)propan-2-yl]oxybenzene")
| 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 | 96.12% | 96.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 94.92% | 96.00% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 91.08% | 92.98% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.61% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.71% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.19% | 99.17% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 87.17% | 96.09% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 87.01% | 89.62% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.78% | 94.45% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 85.30% | 90.20% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 84.01% | 93.31% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.38% | 86.33% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 83.27% | 93.99% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 82.07% | 90.24% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.78% | 95.89% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.21% | 89.50% |
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.
| Bonamia spectabilis |
| Licaria aurea |
| Virola elongata |
| PubChem | 163188084 |
| LOTUS | LTS0044021 |
| wikiData | Q105145653 |