1-[3-[(2S)-2,3-dihydroxy-3-methylbutyl]-2,4-dihydroxyphenyl]-3-(4-hydroxyphenyl)propan-1-one
| Internal ID | af5bd96d-72be-445d-87e2-170849f46fda |
| Taxonomy | Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones > 2-Hydroxy-dihydrochalcones |
| IUPAC Name | 1-[3-[(2S)-2,3-dihydroxy-3-methylbutyl]-2,4-dihydroxyphenyl]-3-(4-hydroxyphenyl)propan-1-one |
| SMILES (Canonical) | CC(C)(C(CC1=C(C=CC(=C1O)C(=O)CCC2=CC=C(C=C2)O)O)O)O |
| SMILES (Isomeric) | CC(C)([C@H](CC1=C(C=CC(=C1O)C(=O)CCC2=CC=C(C=C2)O)O)O)O |
| InChI | InChI=1S/C20H24O6/c1-20(2,26)18(24)11-15-17(23)10-8-14(19(15)25)16(22)9-5-12-3-6-13(21)7-4-12/h3-4,6-8,10,18,21,23-26H,5,9,11H2,1-2H3/t18-/m0/s1 |
| InChI Key | ACJAQJHYAGLMOL-SFHVURJKSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H24O6 |
| Molecular Weight | 360.40 g/mol |
| Exact Mass | 360.15728848 g/mol |
| Topological Polar Surface Area (TPSA) | 118.00 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
![2D Structure of 1-[3-[(2S)-2,3-dihydroxy-3-methylbutyl]-2,4-dihydroxyphenyl]-3-(4-hydroxyphenyl)propan-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/1-3-2s-23-dihydroxy-3-methylbutyl-24-dihydroxyphenyl-3-4-hydroxyphenylpropan-1-one.jpg "2D Structure of 1-[3-[(2S)-2,3-dihydroxy-3-methylbutyl]-2,4-dihydroxyphenyl]-3-(4-hydroxyphenyl)propan-1-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.40% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.53% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.24% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.81% | 97.25% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.92% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.91% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.53% | 99.17% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 87.04% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.97% | 95.56% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.48% | 96.95% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.80% | 97.21% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.66% | 99.15% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.81% | 90.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.58% | 98.75% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 81.21% | 85.00% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 81.05% | 95.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.91% | 86.33% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.77% | 100.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.45% | 95.50% |
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.
| Brosimum acutifolium |
| PubChem | 162947815 |
| LOTUS | LTS0209313 |
| wikiData | Q104909119 |