9,9b-Bis(heptadec-10-enyl)-4a,8-dihydroxy-2,7-dimethoxydibenzofuran-1,4-dione
| Internal ID | faaaae7c-5572-4245-bf5d-f533b202a50c |
| Taxonomy | Organoheterocyclic compounds > Coumarans |
| IUPAC Name | 9,9b-bis(heptadec-10-enyl)-4a,8-dihydroxy-2,7-dimethoxydibenzofuran-1,4-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C48H76O7/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39-44-40(37-41(53-3)45(39)50)55-48(52)43(49)38-42(54-4)46(51)47(44,48)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h15-18,37-38,50,52H,5-14,19-36H2,1-4H3 |
| InChI Key | WFLIDKCUUQSCIY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C48H76O7 |
| Molecular Weight | 765.10 g/mol |
| Exact Mass | 764.55910476 g/mol |
| Topological Polar Surface Area (TPSA) | 102.00 Ų |
| XlogP | 16.20 |
| There are no found synonyms. |
| 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 | 99.30% | 91.11% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 98.85% | 89.63% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.38% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.11% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.99% | 99.17% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 95.66% | 92.08% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.45% | 94.45% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 94.18% | 96.95% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 93.73% | 93.99% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.08% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.38% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.31% | 89.00% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 89.74% | 82.38% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.94% | 94.73% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 88.04% | 97.21% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 86.00% | 93.31% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 84.96% | 90.20% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.77% | 95.89% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.60% | 99.23% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.53% | 100.00% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 82.28% | 96.90% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 81.99% | 90.24% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.53% | 96.00% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 81.34% | 92.68% |
| CHEMBL3891 | P07384 | Calpain 1 | 80.46% | 93.04% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.09% | 92.94% |
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.
| There are no matching plants. |
| PubChem | 85098677 |
| LOTUS | LTS0110216 |
| wikiData | Q105304004 |