2H,8H-Benzo[1,2-b:5,4-b']dipyran-2-one, 5-methoxy-8,8-dimethyl-10-(3-methyl-2-butenyl)-
| Internal ID | 6fd0032f-2512-49fc-926d-5d7c264fb643 |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives > Pyranocoumarins > Linear pyranocoumarins |
| IUPAC Name | 5-methoxy-2,2-dimethyl-10-(3-methylbut-2-enyl)pyrano[3,2-g]chromen-8-one |
| SMILES (Canonical) | CC(=CCC1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CC(O2)(C)C)C |
| SMILES (Isomeric) | CC(=CCC1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CC(O2)(C)C)C |
| InChI | InChI=1S/C20H22O4/c1-12(2)6-7-14-18-13(8-9-16(21)23-18)17(22-5)15-10-11-20(3,4)24-19(14)15/h6,8-11H,7H2,1-5H3 |
| InChI Key | HTYNJHPCHRDBNT-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H22O4 |
| Molecular Weight | 326.40 g/mol |
| Exact Mass | 326.15180918 g/mol |
| Topological Polar Surface Area (TPSA) | 44.80 Ų |
| XlogP | 4.70 |
| 2H,8H-Benzo[1,2-b:5,4-b']dipyran-2-one, 5-methoxy-8,8-dimethyl-10-(3-methyl-2-butenyl)- |
| 5-Methoxy-8,8-dimethyl-10-(3-methyl-2-butenyl)-2H,8H-pyrano[3,2-g]chromen-2-one # |
![2D Structure of 2H,8H-Benzo[1,2-b:5,4-b']dipyran-2-one, 5-methoxy-8,8-dimethyl-10-(3-methyl-2-butenyl)-](https://plantaedb.com/storage/docs/compounds/2023/11/2h8h-benzo12-b54-bdipyran-2-one-5-methoxy-88-dimethyl-10-3-methyl-2-butenyl-.jpg "2D Structure of 2H,8H-Benzo[1,2-b:5,4-b']dipyran-2-one, 5-methoxy-8,8-dimethyl-10-(3-methyl-2-butenyl)-")
| 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 | 99.22% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.93% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.13% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.13% | 85.14% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 85.93% | 85.30% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.54% | 94.73% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.10% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.74% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.82% | 94.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 82.18% | 91.49% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 81.76% | 97.28% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.38% | 89.00% |
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.
| Zanthoxylum avicennae |
| PubChem | 628408 |
| LOTUS | LTS0052109 |
| wikiData | Q105033685 |