2-heptadecyl-3a-methyl-6-octadecylidene-6aH-furo[2,3-d][1,3]dioxol-5-one
| Internal ID | 1fc0328f-5e4f-4bc8-8b42-5e4fedd2a168 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Ethers > Acetals > Ketals |
| IUPAC Name | 2-heptadecyl-3a-methyl-6-octadecylidene-6aH-furo[2,3-d][1,3]dioxol-5-one |
| SMILES (Canonical) | CCCCCCCCCCCCCCCCCC=C1C2C(OC(O2)CCCCCCCCCCCCCCCCC)(OC1=O)C |
| SMILES (Isomeric) | CCCCCCCCCCCCCCCCCC=C1C2C(OC(O2)CCCCCCCCCCCCCCCCC)(OC1=O)C |
| InChI | InChI=1S/C41H76O4/c1-4-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-41(3,45-40(37)42)44-38(43-39)36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-5-2/h35,38-39H,4-34,36H2,1-3H3 |
| InChI Key | CAOCEKNEUZPZQL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C41H76O4 |
| Molecular Weight | 633.00 g/mol |
| Exact Mass | 632.57436090 g/mol |
| Topological Polar Surface Area (TPSA) | 44.80 Ų |
| XlogP | 17.90 |
| There are no found synonyms. |
![2D Structure of 2-heptadecyl-3a-methyl-6-octadecylidene-6aH-furo[2,3-d][1,3]dioxol-5-one](https://plantaedb.com/storage/docs/compounds/2023/11/2-heptadecyl-3a-methyl-6-octadecylidene-6ah-furo23-d13dioxol-5-one.jpg "2D Structure of 2-heptadecyl-3a-methyl-6-octadecylidene-6aH-furo[2,3-d][1,3]dioxol-5-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 |
|---|---|---|---|---|
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 98.92% | 89.63% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.85% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.83% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 93.38% | 90.17% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 91.58% | 98.03% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.76% | 94.73% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 90.06% | 92.08% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.61% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.32% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.97% | 96.09% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 87.25% | 97.79% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.56% | 97.25% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.68% | 99.17% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 84.09% | 92.88% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 83.78% | 92.86% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.97% | 86.33% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 81.76% | 90.08% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.54% | 97.09% |
| CHEMBL1944495 | P28065 | Proteasome subunit beta type-9 | 80.47% | 97.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.30% | 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.
| Machilus zuihoensis |
| PubChem | 162873638 |
| LOTUS | LTS0071603 |
| wikiData | Q104667552 |