2',4',4-Trihydroxy-3'-[2-hydroxy-7-methyl-3-methylene-6-octaenyl]chalcone
| Internal ID | fdcdc2e0-52eb-4a89-aa17-471f993b3c36 |
| Taxonomy | Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones > 3-prenylated chalcones |
| IUPAC Name | 1-[2,4-dihydroxy-3-(2-hydroxy-7-methyl-3-methylideneoct-6-enyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one |
| SMILES (Canonical) | CC(=CCCC(=C)C(CC1=C(C=CC(=C1O)C(=O)C=CC2=CC=C(C=C2)O)O)O)C |
| SMILES (Isomeric) | CC(=CCCC(=C)C(CC1=C(C=CC(=C1O)C(=O)C=CC2=CC=C(C=C2)O)O)O)C |
| InChI | InChI=1S/C25H28O5/c1-16(2)5-4-6-17(3)24(29)15-21-23(28)14-12-20(25(21)30)22(27)13-9-18-7-10-19(26)11-8-18/h5,7-14,24,26,28-30H,3-4,6,15H2,1-2H3 |
| InChI Key | CYHUVDXNYPUGML-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C25H28O5 |
| Molecular Weight | 408.50 g/mol |
| Exact Mass | 408.19367399 g/mol |
| Topological Polar Surface Area (TPSA) | 98.00 Ų |
| XlogP | 5.90 |
| There are no found synonyms. |
![2D Structure of 2',4',4-Trihydroxy-3'-[2-hydroxy-7-methyl-3-methylene-6-octaenyl]chalcone](https://plantaedb.com/storage/docs/compounds/2023/11/244-trihydroxy-3-2-hydroxy-7-methyl-3-methylene-6-octaenylchalcone.jpg "2D Structure of 2',4',4-Trihydroxy-3'-[2-hydroxy-7-methyl-3-methylene-6-octaenyl]chalcone")
| 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 | 98.61% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.19% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.28% | 94.45% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 90.46% | 93.10% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.10% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.86% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.66% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.40% | 95.56% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 85.63% | 95.50% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.81% | 90.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.23% | 96.09% |
| CHEMBL3194 | P02766 | Transthyretin | 83.22% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.00% | 89.00% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 80.11% | 85.00% |
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.
| Angelica keiskei |
| Artocarpus nobilis |
| PubChem | 72812157 |
| LOTUS | LTS0075196 |
| wikiData | Q104972322 |