(E)-6-(2,5-dimethoxy-3-methylphenyl)-1-[(1S,6S,7R)-2,4-dimethoxy-6,7,9,9-tetramethyl-7-bicyclo[4.2.1]nona-2,4-dienyl]-4-methylhex-4-en-2-one
| Internal ID | 167e0dde-f218-45f2-92e9-f61fe996df17 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Methoxybenzenes > Dimethoxybenzenes |
| IUPAC Name | (E)-6-(2,5-dimethoxy-3-methylphenyl)-1-[(1S,6S,7R)-2,4-dimethoxy-6,7,9,9-tetramethyl-7-bicyclo[4.2.1]nona-2,4-dienyl]-4-methylhex-4-en-2-one |
| SMILES (Canonical) | CC1=CC(=CC(=C1OC)CC=C(C)CC(=O)CC2(CC3C(=CC(=CC2(C3(C)C)C)OC)OC)C)OC |
| SMILES (Isomeric) | CC1=CC(=CC(=C1OC)C/C=C(\C)/CC(=O)C[C@]2(C[C@@H]3C(=CC(=C[C@@]2(C3(C)C)C)OC)OC)C)OC |
| InChI | InChI=1S/C31H44O5/c1-20(11-12-22-15-24(33-7)14-21(2)28(22)36-10)13-23(32)17-30(5)19-26-27(35-9)16-25(34-8)18-31(30,6)29(26,3)4/h11,14-16,18,26H,12-13,17,19H2,1-10H3/b20-11+/t26-,30+,31-/m1/s1 |
| InChI Key | JYWWWDZLUBBYIE-HRALMMETSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C31H44O5 |
| Molecular Weight | 496.70 g/mol |
| Exact Mass | 496.31887450 g/mol |
| Topological Polar Surface Area (TPSA) | 54.00 Ų |
| XlogP | 6.80 |
| There are no found synonyms. |
![2D Structure of (E)-6-(2,5-dimethoxy-3-methylphenyl)-1-[(1S,6S,7R)-2,4-dimethoxy-6,7,9,9-tetramethyl-7-bicyclo[4.2.1]nona-2,4-dienyl]-4-methylhex-4-en-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/8143e7d0-8630-11ee-9282-059c4e1d427e.jpg "2D Structure of (E)-6-(2,5-dimethoxy-3-methylphenyl)-1-[(1S,6S,7R)-2,4-dimethoxy-6,7,9,9-tetramethyl-7-bicyclo[4.2.1]nona-2,4-dienyl]-4-methylhex-4-en-2-one")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.75% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.80% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.22% | 96.09% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 93.06% | 91.07% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.66% | 95.56% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.39% | 91.19% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.35% | 90.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.55% | 96.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.76% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.36% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.18% | 99.17% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.92% | 99.15% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.74% | 97.09% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.12% | 92.62% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.95% | 94.33% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 83.33% | 93.00% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 83.26% | 91.03% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 81.57% | 97.28% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.49% | 94.00% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 80.70% | 85.30% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.68% | 95.89% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 163193233 |
| LOTUS | LTS0124873 |
| wikiData | Q105137242 |