(2S)-1-(1,3-benzodioxol-5-yl)-2-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)propan-1-one
| Internal ID | 82bf48a1-616b-4aca-a21b-77c99edbbf43 |
| Taxonomy | Phenylpropanoids and polyketides > Stilbenes |
| IUPAC Name | (2S)-1-(1,3-benzodioxol-5-yl)-2-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)propan-1-one |
| SMILES (Canonical) | CC(C1=CC(=C(C(=C1)OC)O)CC=C)C(=O)C2=CC3=C(C=C2)OCO3 |
| SMILES (Isomeric) | C[C@@H](C1=CC(=C(C(=C1)OC)O)CC=C)C(=O)C2=CC3=C(C=C2)OCO3 |
| InChI | InChI=1S/C20H20O5/c1-4-5-13-8-15(10-18(23-3)20(13)22)12(2)19(21)14-6-7-16-17(9-14)25-11-24-16/h4,6-10,12,22H,1,5,11H2,2-3H3/t12-/m0/s1 |
| InChI Key | KMKJYXJQJSQMJU-LBPRGKRZSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H20O5 |
| Molecular Weight | 340.40 g/mol |
| Exact Mass | 340.13107373 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.64% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.32% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.13% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.83% | 94.45% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 94.79% | 94.80% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 94.28% | 90.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 93.97% | 96.77% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.17% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.14% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.95% | 98.95% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 90.77% | 96.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.92% | 95.56% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.17% | 92.62% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 88.30% | 90.20% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.16% | 90.71% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 86.45% | 89.62% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 86.26% | 89.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.74% | 89.00% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 85.59% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.22% | 91.19% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.86% | 95.89% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.11% | 95.89% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 82.07% | 98.75% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 80.89% | 90.24% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.51% | 93.99% |
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.
| Ocotea porosa |
| PubChem | 14132425 |
| LOTUS | LTS0080257 |
| wikiData | Q105143004 |