5,7-Dihydroxy-8-(3-methyl-but-2-enyl)-2-phenyl-1-benzopyran-4-one
| Internal ID | 979131d5-a162-4b13-ab34-5035143f0068 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > 2-prenylated flavans > 2-prenylated flavanones |
| IUPAC Name | 2-[3,4-dimethoxy-2-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one |
| SMILES (Canonical) | CC(=CCC1=C(C=CC(=C1OC)OC)C2CC(=O)C3=C(C=C(C=C3O2)O)O)C |
| SMILES (Isomeric) | CC(=CCC1=C(C=CC(=C1OC)OC)C2CC(=O)C3=C(C=C(C=C3O2)O)O)C |
| InChI | InChI=1S/C22H24O6/c1-12(2)5-6-15-14(7-8-18(26-3)22(15)27-4)19-11-17(25)21-16(24)9-13(23)10-20(21)28-19/h5,7-10,19,23-24H,6,11H2,1-4H3 |
| InChI Key | AUNLUWJOQFJDDA-UHFFFAOYSA-N |
| Popularity | 6 references in papers |
| Molecular Formula | C22H24O6 |
| Molecular Weight | 384.40 g/mol |
| Exact Mass | 384.15728848 g/mol |
| Topological Polar Surface Area (TPSA) | 85.20 Ų |
| XlogP | 4.60 |
| 130756-19-3 |
| 5,7-Dihydroxy-8-(3-methyl-but-2-enyl)-2-phenyl-1-benzopyran-4-one |
| MLS000697744 |
| SMR000470981 |
| 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxy-2-(3-methyl-2-butenyl)phenyl)-2,3-dihydro-5,7-dihydroxy- |
| 2-[3,4-dimethoxy-2-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-chroman-4-one |
| 4H-1-Benzopyran-4-one, 2-[3,4-dimethoxy-2-(3-methyl-2-butenyl)phenyl]-2,3-dihydro-5,7-dihydroxy- |
| cid_480767 |
| CHEMBL1733607 |
| BDBM69611 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.41% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.94% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.99% | 96.09% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 95.11% | 96.12% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 94.13% | 83.82% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.88% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.26% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.69% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.26% | 99.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.24% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.80% | 89.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.62% | 98.75% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.87% | 99.23% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.18% | 94.73% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.13% | 85.14% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.19% | 92.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.24% | 97.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.62% | 99.15% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.32% | 94.00% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 80.77% | 92.68% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.58% | 93.40% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.05% | 100.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.04% | 90.00% |
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.
| Antiaris toxicaria |
| PubChem | 480767 |
| LOTUS | LTS0270530 |
| wikiData | Q82901496 |