2H-1-Benzopyran-2-one, 6,7-dimethoxy-8-(3-methyl-2-butenyl)-
| Internal ID | 03c6bb98-152f-4345-93d7-a55809e3474b |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives |
| IUPAC Name | 6,7-dimethoxy-8-(3-methylbut-2-enyl)chromen-2-one |
| SMILES (Canonical) | CC(=CCC1=C2C(=CC(=C1OC)OC)C=CC(=O)O2)C |
| SMILES (Isomeric) | CC(=CCC1=C2C(=CC(=C1OC)OC)C=CC(=O)O2)C |
| InChI | InChI=1S/C16H18O4/c1-10(2)5-7-12-15-11(6-8-14(17)20-15)9-13(18-3)16(12)19-4/h5-6,8-9H,7H2,1-4H3 |
| InChI Key | NNBURDJZOIAAHY-UHFFFAOYSA-N |
| Popularity | 8 references in papers |
| Molecular Formula | C16H18O4 |
| Molecular Weight | 274.31 g/mol |
| Exact Mass | 274.12050905 g/mol |
| Topological Polar Surface Area (TPSA) | 44.80 Ų |
| XlogP | 3.80 |
| 72916-61-1 |
| 2H-1-Benzopyran-2-one, 6,7-dimethoxy-8-(3-methyl-2-butenyl)- |
| 6,7-dimethoxy-8-(3-methylbut-2-enyl)chromen-2-one |
| MLS000863618 |
| MEGxp0_001971 |
| CHEMBL1338393 |
| SCHEMBL16352043 |
| ACon1_000062 |
| DTXSID00223217 |
| HMS2269J07 |
| 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 | 95.96% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.37% | 94.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.84% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.12% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.05% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.58% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.09% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.79% | 95.56% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.70% | 96.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.63% | 85.14% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.38% | 96.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.62% | 97.21% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.27% | 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.
| Cedrelopsis grevei |
| Rubia yunnanensis |
| Ticorea longiflora |
| Zanthoxylum ailanthoides |
| PubChem | 155937 |
| LOTUS | LTS0252325 |
| wikiData | Q83101638 |