9-[(E,6S)-6,7-dihydroxy-3,7-dimethyloct-2-enoxy]-4-methoxyfuro[3,2-g]chromen-7-one
| Internal ID | 4f2908ad-aa41-4356-914a-fae50e82438b |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives > Furanocoumarins > Psoralens > 5-methoxypsoralens |
| IUPAC Name | 9-[(E,6S)-6,7-dihydroxy-3,7-dimethyloct-2-enoxy]-4-methoxyfuro[3,2-g]chromen-7-one |
| SMILES (Canonical) | CC(=CCOC1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2)CCC(C(C)(C)O)O |
| SMILES (Isomeric) | C/C(=C\COC1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2)/CC[C@@H](C(C)(C)O)O |
| InChI | InChI=1S/C22H26O7/c1-13(5-7-16(23)22(2,3)25)9-11-28-21-19-15(10-12-27-19)18(26-4)14-6-8-17(24)29-20(14)21/h6,8-10,12,16,23,25H,5,7,11H2,1-4H3/b13-9+/t16-/m0/s1 |
| InChI Key | SHNUWMDCCQKKKN-WQMJKPAKSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H26O7 |
| Molecular Weight | 402.40 g/mol |
| Exact Mass | 402.16785316 g/mol |
| Topological Polar Surface Area (TPSA) | 98.40 Ų |
| XlogP | 3.30 |
| There are no found synonyms. |
![2D Structure of 9-[(E,6S)-6,7-dihydroxy-3,7-dimethyloct-2-enoxy]-4-methoxyfuro[3,2-g]chromen-7-one](https://plantaedb.com/storage/docs/compounds/2023/11/9-e6s-67-dihydroxy-37-dimethyloct-2-enoxy-4-methoxyfuro32-gchromen-7-one.jpg "2D Structure of 9-[(E,6S)-6,7-dihydroxy-3,7-dimethyloct-2-enoxy]-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 | 97.59% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.40% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.23% | 85.14% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.11% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.05% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.97% | 99.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.55% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.21% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.65% | 94.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 84.57% | 89.34% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.30% | 99.23% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.16% | 96.00% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 84.05% | 93.31% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.71% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.25% | 97.25% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 81.55% | 92.51% |
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.
| Casimiroa edulis |
| PubChem | 163195408 |
| LOTUS | LTS0253024 |
| wikiData | Q105253089 |