1-(5,8-Dimethoxy-2,2-dimethylchromen-6-yl)-3-phenylpropane-1,3-dione
| Internal ID | 2742813e-9828-48bd-b285-9dbc5cc96122 |
| Taxonomy | Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones > Retro-dihydrochalcones |
| IUPAC Name | 1-(5,8-dimethoxy-2,2-dimethylchromen-6-yl)-3-phenylpropane-1,3-dione |
| SMILES (Canonical) | CC1(C=CC2=C(C(=CC(=C2O1)OC)C(=O)CC(=O)C3=CC=CC=C3)OC)C |
| SMILES (Isomeric) | CC1(C=CC2=C(C(=CC(=C2O1)OC)C(=O)CC(=O)C3=CC=CC=C3)OC)C |
| InChI | InChI=1S/C22H22O5/c1-22(2)11-10-15-20(26-4)16(12-19(25-3)21(15)27-22)18(24)13-17(23)14-8-6-5-7-9-14/h5-12H,13H2,1-4H3 |
| InChI Key | KSNFJIUIVUPMCO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H22O5 |
| Molecular Weight | 366.40 g/mol |
| Exact Mass | 366.14672380 g/mol |
| Topological Polar Surface Area (TPSA) | 61.80 Ų |
| XlogP | 4.00 |
| 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 |
|---|---|---|---|---|
| CHEMBL1255126 | O15151 | Protein Mdm4 | 96.10% | 90.20% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.96% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 95.66% | 90.17% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 95.08% | 87.67% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.94% | 96.09% |
| CHEMBL2535 | P11166 | Glucose transporter | 93.76% | 98.75% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 93.22% | 81.11% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 93.04% | 90.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.37% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.69% | 86.33% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 87.94% | 95.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.80% | 95.56% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 86.98% | 91.07% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.50% | 94.73% |
| CHEMBL5028 | O14672 | ADAM10 | 83.93% | 97.50% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.81% | 97.14% |
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.
| Millettia erythrocalyx |
| Pongamia pinnata |
| PubChem | 15081160 |
| LOTUS | LTS0184365 |
| wikiData | Q105145506 |