Pedicellin
| Internal ID | 06e72f97-b814-434d-bbe7-8008bf2aecf9 |
| Taxonomy | Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids |
| IUPAC Name | (E)-1-(2,3,4,5,6-pentamethoxyphenyl)-3-phenylprop-2-en-1-one |
| SMILES (Canonical) | COC1=C(C(=C(C(=C1OC)OC)OC)OC)C(=O)C=CC2=CC=CC=C2 |
| SMILES (Isomeric) | COC1=C(C(=C(C(=C1OC)OC)OC)OC)C(=O)/C=C/C2=CC=CC=C2 |
| InChI | InChI=1S/C20H22O6/c1-22-16-15(14(21)12-11-13-9-7-6-8-10-13)17(23-2)19(25-4)20(26-5)18(16)24-3/h6-12H,1-5H3/b12-11+ |
| InChI Key | BHTMJPHRPUKDBL-VAWYXSNFSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H22O6 |
| Molecular Weight | 358.40 g/mol |
| Exact Mass | 358.14163842 g/mol |
| Topological Polar Surface Area (TPSA) | 63.20 Ų |
| XlogP | 3.50 |
| 518-58-1 |
| NSC 255994 |
| 2-Propen-1-one, 1-(pentamethoxyphenyl)-3-phenyl-, (E)- |
| (E)-1-(Pentamethoxyphenyl)-3-phenyl-2-propen-1-one |
| NSC-255994 |
| Pedicellin (chalcone) |
| SCHEMBL1201269 |
| CHEMBL1998453 |
| 7Y8622K9HX |
| LMPK12120363 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 |
|---|---|---|---|---|
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.20% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 93.23% | 96.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.80% | 95.56% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 91.08% | 94.08% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.05% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.87% | 91.11% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 88.42% | 95.50% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.30% | 90.00% |
| CHEMBL5028 | O14672 | ADAM10 | 80.28% | 97.50% |
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.
| Gentiana pedicellata |
| Lindera lucida |
| PubChem | 5925916 |
| LOTUS | LTS0123974 |
| wikiData | Q76313123 |