(2,4-dihydroxy-6-methoxyphenyl)-[(1R,2R,5R)-3-methyl-2-(3-methylbut-2-enyl)-5-phenylcyclohex-3-en-1-yl]methanone
| Internal ID | 36a8e5f8-bf84-4dab-b98e-2b4c7dffe00a |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Phenylketones > Alkyl-phenylketones |
| IUPAC Name | (2,4-dihydroxy-6-methoxyphenyl)-[(1R,2R,5R)-3-methyl-2-(3-methylbut-2-enyl)-5-phenylcyclohex-3-en-1-yl]methanone |
| SMILES (Canonical) | CC1=CC(CC(C1CC=C(C)C)C(=O)C2=C(C=C(C=C2OC)O)O)C3=CC=CC=C3 |
| SMILES (Isomeric) | CC1=C[C@@H](C[C@H]([C@H]1CC=C(C)C)C(=O)C2=C(C=C(C=C2OC)O)O)C3=CC=CC=C3 |
| InChI | InChI=1S/C26H30O4/c1-16(2)10-11-21-17(3)12-19(18-8-6-5-7-9-18)13-22(21)26(29)25-23(28)14-20(27)15-24(25)30-4/h5-10,12,14-15,19,21-22,27-28H,11,13H2,1-4H3/t19-,21-,22+/m0/s1 |
| InChI Key | ZUGJZDPPJGJZPY-ILWGZMRPSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H30O4 |
| Molecular Weight | 406.50 g/mol |
| Exact Mass | 406.21440943 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 6.00 |
| There are no found synonyms. |
![2D Structure of (2,4-dihydroxy-6-methoxyphenyl)-[(1R,2R,5R)-3-methyl-2-(3-methylbut-2-enyl)-5-phenylcyclohex-3-en-1-yl]methanone](https://plantaedb.com/storage/docs/compounds/2023/11/f680d520-85a5-11ee-a3f8-c75d4b1f4e7c.jpg "2D Structure of (2,4-dihydroxy-6-methoxyphenyl)-[(1R,2R,5R)-3-methyl-2-(3-methylbut-2-enyl)-5-phenylcyclohex-3-en-1-yl]methanone")
| 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 | 98.08% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.86% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.45% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.32% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.15% | 98.95% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 92.19% | 96.95% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 89.70% | 95.50% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.71% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.59% | 94.45% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.21% | 98.75% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.09% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.98% | 97.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.96% | 91.19% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.29% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.19% | 89.00% |
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.
| Boesenbergia rotunda |
| PubChem | 163106945 |
| LOTUS | LTS0241448 |
| wikiData | Q105383644 |