1,2,4-trimethoxy-5-[(Z)-2-[(1R,2S)-2-[(Z)-2-(2,4,5-trimethoxyphenyl)ethenyl]cyclobutyl]ethenyl]benzene
| Internal ID | fcf1dbf7-c143-4312-b388-ea11f7eada3e |
| Taxonomy | Benzenoids > Phenol ethers > Anisoles |
| IUPAC Name | 1,2,4-trimethoxy-5-[(Z)-2-[(1R,2S)-2-[(Z)-2-(2,4,5-trimethoxyphenyl)ethenyl]cyclobutyl]ethenyl]benzene |
| SMILES (Canonical) | COC1=CC(=C(C=C1C=CC2CCC2C=CC3=CC(=C(C=C3OC)OC)OC)OC)OC |
| SMILES (Isomeric) | COC1=CC(=C(C=C1/C=C\[C@@H]2[C@@H](CC2)/C=C\C3=CC(=C(C=C3OC)OC)OC)OC)OC |
| InChI | InChI=1S/C26H32O6/c1-27-21-15-25(31-5)23(29-3)13-19(21)11-9-17-7-8-18(17)10-12-20-14-24(30-4)26(32-6)16-22(20)28-2/h9-18H,7-8H2,1-6H3/b11-9-,12-10-/t17-,18+ |
| InChI Key | QVUVDTBUZRSEJI-LMHGVARYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C26H32O6 |
| Molecular Weight | 440.50 g/mol |
| Exact Mass | 440.21988874 g/mol |
| Topological Polar Surface Area (TPSA) | 55.40 Ų |
| XlogP | 5.70 |
| There are no found synonyms. |
![2D Structure of 1,2,4-trimethoxy-5-[(Z)-2-[(1R,2S)-2-[(Z)-2-(2,4,5-trimethoxyphenyl)ethenyl]cyclobutyl]ethenyl]benzene](https://plantaedb.com/storage/docs/compounds/2023/11/d894c100-854a-11ee-ad1c-69bab1b83bcc.jpg "2D Structure of 1,2,4-trimethoxy-5-[(Z)-2-[(1R,2S)-2-[(Z)-2-(2,4,5-trimethoxyphenyl)ethenyl]cyclobutyl]ethenyl]benzene")
| 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 |
|---|---|---|---|---|
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 93.66% | 92.94% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.64% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.83% | 91.11% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 90.63% | 96.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 86.33% | 89.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.80% | 95.89% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 83.60% | 99.18% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.80% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.33% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.00% | 97.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 81.45% | 93.99% |
| CHEMBL1871 | P10275 | Androgen Receptor | 81.13% | 96.43% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.35% | 92.62% |
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.
| Alpinia flabellata |
| PubChem | 163188412 |
| LOTUS | LTS0160907 |
| wikiData | Q105228923 |