9-(3,7-Dimethylocta-2,6-dienoxy)-4-methoxyfuro[3,2-g]chromen-7-one
| Internal ID | 36dded96-dff5-4ab1-85ca-09941e03b212 |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives > Furanocoumarins > Psoralens > 5-methoxypsoralens |
| IUPAC Name | 9-(3,7-dimethylocta-2,6-dienoxy)-4-methoxyfuro[3,2-g]chromen-7-one |
| SMILES (Canonical) | CC(=CCCC(=CCOC1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2)C)C |
| SMILES (Isomeric) | CC(=CCCC(=CCOC1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2)C)C |
| InChI | InChI=1S/C22H24O5/c1-14(2)6-5-7-15(3)10-12-26-22-20-17(11-13-25-20)19(24-4)16-8-9-18(23)27-21(16)22/h6,8-11,13H,5,7,12H2,1-4H3 |
| InChI Key | CTPXXQMJFXTTQZ-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C22H24O5 |
| Molecular Weight | 368.40 g/mol |
| Exact Mass | 368.16237386 g/mol |
| Topological Polar Surface Area (TPSA) | 57.90 Ų |
| XlogP | 5.60 |
| There are no found synonyms. |
![2D Structure of 9-(3,7-Dimethylocta-2,6-dienoxy)-4-methoxyfuro[3,2-g]chromen-7-one](https://plantaedb.com/storage/docs/compounds/2023/11/9-37-dimethylocta-26-dienoxy-4-methoxyfuro32-gchromen-7-one.jpg "2D Structure of 9-(3,7-Dimethylocta-2,6-dienoxy)-4-methoxyfuro[3,2-g]chromen-7-one")
| 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 | 97.50% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.79% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.01% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.43% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.52% | 94.73% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 89.20% | 94.03% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.41% | 94.00% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 87.02% | 92.08% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.19% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.62% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.92% | 96.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.85% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.31% | 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.
| Dorstenia gigas |
| Hansenia forbesii |
| Melicope subunifoliolata |
| Melicope triphylla |
| PubChem | 176901 |
| LOTUS | LTS0094608 |
| wikiData | Q104969982 |