4-(1,3-Benzodioxol-5-yl)-1-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutan-1-one
Internal ID | 82b3dd6a-8715-482a-9476-18a9d0148a8a |
Taxonomy | Lignans, neolignans and related compounds > Dibenzylbutane lignans |
IUPAC Name | 4-(1,3-benzodioxol-5-yl)-1-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutan-1-one |
SMILES (Canonical) | CC(CC1=CC2=C(C=C1)OCO2)C(C)C(=O)C3=CC(=C(C=C3)O)OC |
SMILES (Isomeric) | CC(CC1=CC2=C(C=C1)OCO2)C(C)C(=O)C3=CC(=C(C=C3)O)OC |
InChI | InChI=1S/C20H22O5/c1-12(8-14-4-7-17-19(9-14)25-11-24-17)13(2)20(22)15-5-6-16(21)18(10-15)23-3/h4-7,9-10,12-13,21H,8,11H2,1-3H3 |
InChI Key | UFCKYLUYWNYRRX-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C20H22O5 |
Molecular Weight | 342.40 g/mol |
Exact Mass | 342.14672380 g/mol |
Topological Polar Surface Area (TPSA) | 65.00 Ų |
XlogP | 4.30 |
There are no found synonyms. |
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 |
---|---|---|---|---|
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 97.76% | 96.77% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.15% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.85% | 96.09% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.88% | 99.17% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.62% | 94.45% |
CHEMBL4208 | P20618 | Proteasome component C5 | 93.31% | 90.00% |
CHEMBL2535 | P11166 | Glucose transporter | 92.51% | 98.75% |
CHEMBL2581 | P07339 | Cathepsin D | 92.49% | 98.95% |
CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 91.62% | 94.80% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.52% | 86.33% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 91.22% | 92.62% |
CHEMBL1255126 | O15151 | Protein Mdm4 | 89.04% | 90.20% |
CHEMBL3492 | P49721 | Proteasome Macropain subunit | 88.93% | 90.24% |
CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 87.36% | 100.00% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.03% | 95.50% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.91% | 95.89% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.39% | 90.71% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.15% | 95.56% |
CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 83.88% | 85.30% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.43% | 94.00% |
CHEMBL1907588 | P02708 | Acetylcholine receptor; alpha1/beta1/delta/gamma | 83.04% | 98.33% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.01% | 96.00% |
CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 83.00% | 89.50% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.95% | 91.19% |
CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 81.56% | 85.31% |
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.
Bicuiba oleifera |
Iryanthera lancifolia |
PubChem | 75028625 |
LOTUS | LTS0053199 |
wikiData | Q105271388 |