1-(1,3-Benzodioxol-5-yl)-3-(5-methoxy-2,2-dimethylchromen-6-yl)propane-1,3-dione
Internal ID | 16a81ae1-f2df-4c31-b92e-27acf74d2505 |
Taxonomy | Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones > Retro-dihydrochalcones |
IUPAC Name | 1-(1,3-benzodioxol-5-yl)-3-(5-methoxy-2,2-dimethylchromen-6-yl)propane-1,3-dione |
SMILES (Canonical) | CC1(C=CC2=C(O1)C=CC(=C2OC)C(=O)CC(=O)C3=CC4=C(C=C3)OCO4)C |
SMILES (Isomeric) | CC1(C=CC2=C(O1)C=CC(=C2OC)C(=O)CC(=O)C3=CC4=C(C=C3)OCO4)C |
InChI | InChI=1S/C22H20O6/c1-22(2)9-8-15-18(28-22)7-5-14(21(15)25-3)17(24)11-16(23)13-4-6-19-20(10-13)27-12-26-19/h4-10H,11-12H2,1-3H3 |
InChI Key | LHCSKOARRBVEJM-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C22H20O6 |
Molecular Weight | 380.40 g/mol |
Exact Mass | 380.12598835 g/mol |
Topological Polar Surface Area (TPSA) | 71.10 Ų |
XlogP | 3.80 |
There are no found synonyms. |
![2D Structure of 1-(1,3-Benzodioxol-5-yl)-3-(5-methoxy-2,2-dimethylchromen-6-yl)propane-1,3-dione 2D Structure of 1-(1,3-Benzodioxol-5-yl)-3-(5-methoxy-2,2-dimethylchromen-6-yl)propane-1,3-dione](https://plantaedb.com/storage/docs/compounds/2023/11/1-13-benzodioxol-5-yl-3-5-methoxy-22-dimethylchromen-6-ylpropane-13-dione.jpg)
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 | 98.62% | 96.77% |
CHEMBL4208 | P20618 | Proteasome component C5 | 98.10% | 90.00% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.79% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.87% | 96.09% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.49% | 94.45% |
CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 91.43% | 81.11% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 90.60% | 92.62% |
CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 90.43% | 94.80% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.40% | 99.17% |
CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 90.36% | 87.67% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.07% | 86.33% |
CHEMBL2535 | P11166 | Glucose transporter | 89.83% | 98.75% |
CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 86.32% | 80.96% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.31% | 97.14% |
CHEMBL3401 | O75469 | Pregnane X receptor | 84.94% | 94.73% |
CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 84.38% | 89.50% |
CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.98% | 91.07% |
CHEMBL3492 | P49721 | Proteasome Macropain subunit | 83.78% | 90.24% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.02% | 85.14% |
CHEMBL1255126 | O15151 | Protein Mdm4 | 82.79% | 90.20% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.54% | 91.19% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.28% | 95.56% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.01% | 90.17% |
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.
Lonchocarpus subglaucescens |
PubChem | 101995337 |
LOTUS | LTS0055378 |
wikiData | Q105151681 |