(E)-6-(5-hydroxy-2-methoxy-3-methylphenyl)-1-[(1R,2R)-2-[(E)-4-hydroxy-4-methylpent-2-enoyl]-1,2-dimethylcyclopentyl]-4-methylhex-4-en-2-one
| Internal ID | d2d3b95e-b274-4f4b-ae36-316eaff92797 |
| Taxonomy | Benzenoids > Phenols > Methoxyphenols |
| IUPAC Name | (E)-6-(5-hydroxy-2-methoxy-3-methylphenyl)-1-[(1R,2R)-2-[(E)-4-hydroxy-4-methylpent-2-enoyl]-1,2-dimethylcyclopentyl]-4-methylhex-4-en-2-one |
| SMILES (Canonical) | CC1=CC(=CC(=C1OC)CC=C(C)CC(=O)CC2(CCCC2(C)C(=O)C=CC(C)(C)O)C)O |
| SMILES (Isomeric) | CC1=CC(=CC(=C1OC)C/C=C(\C)/CC(=O)C[C@]2(CCC[C@@]2(C)C(=O)/C=C/C(C)(C)O)C)O |
| InChI | InChI=1S/C28H40O5/c1-19(9-10-21-17-22(29)16-20(2)25(21)33-7)15-23(30)18-27(5)12-8-13-28(27,6)24(31)11-14-26(3,4)32/h9,11,14,16-17,29,32H,8,10,12-13,15,18H2,1-7H3/b14-11+,19-9+/t27-,28+/m1/s1 |
| InChI Key | KKCZRODZKAGQFG-WVMMAZAPSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H40O5 |
| Molecular Weight | 456.60 g/mol |
| Exact Mass | 456.28757437 g/mol |
| Topological Polar Surface Area (TPSA) | 83.80 Ų |
| XlogP | 5.10 |
| There are no found synonyms. |
![2D Structure of (E)-6-(5-hydroxy-2-methoxy-3-methylphenyl)-1-[(1R,2R)-2-[(E)-4-hydroxy-4-methylpent-2-enoyl]-1,2-dimethylcyclopentyl]-4-methylhex-4-en-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/a8901f30-83ae-11ee-8a0b-a35cdc5b8f9c.jpg "2D Structure of (E)-6-(5-hydroxy-2-methoxy-3-methylphenyl)-1-[(1R,2R)-2-[(E)-4-hydroxy-4-methylpent-2-enoyl]-1,2-dimethylcyclopentyl]-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 | 99.68% | 91.11% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 92.80% | 91.07% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.52% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.43% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.16% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.52% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.73% | 95.56% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 86.46% | 95.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.96% | 90.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.64% | 91.19% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.53% | 98.75% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 85.41% | 95.50% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.01% | 92.62% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.65% | 99.17% |
| CHEMBL3085 | P43003 | Excitatory amino acid transporter 1 | 83.84% | 94.67% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.74% | 94.33% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 83.61% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.43% | 98.95% |
| CHEMBL4973 | P43004 | Excitatory amino acid transporter 2 | 81.09% | 98.75% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.64% | 96.00% |
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.
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| There are no matching plants. |
| PubChem | 23426484 |
| LOTUS | LTS0071435 |
| wikiData | Q105142143 |