6-Ethenyl-3-[2-(6-ethenyl-6-methyl-2-oxo-5-prop-1-en-2-yl-3,3a,4,5,7,7a-hexahydro-1-benzofuran-3-yl)ethyl]-6-methyl-5-prop-1-en-2-yl-4,5,7,7a-tetrahydro-1-benzofuran-2-one
| Internal ID | da55b1d0-e37b-4235-aa62-af8e099bb731 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
| IUPAC Name | 6-ethenyl-3-[2-(6-ethenyl-6-methyl-2-oxo-5-prop-1-en-2-yl-3,3a,4,5,7,7a-hexahydro-1-benzofuran-3-yl)ethyl]-6-methyl-5-prop-1-en-2-yl-4,5,7,7a-tetrahydro-1-benzofuran-2-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H40O4/c1-9-29(7)15-25-21(13-23(29)17(3)4)19(27(31)33-25)11-12-20-22-14-24(18(5)6)30(8,10-2)16-26(22)34-28(20)32/h9-10,19,21,23-26H,1-3,5,11-16H2,4,6-8H3 |
| InChI Key | YSSIFGYDZGBFIH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H40O4 |
| Molecular Weight | 464.60 g/mol |
| Exact Mass | 464.29265975 g/mol |
| Topological Polar Surface Area (TPSA) | 52.60 Ų |
| XlogP | 7.20 |
| There are no found synonyms. |
![2D Structure of 6-Ethenyl-3-[2-(6-ethenyl-6-methyl-2-oxo-5-prop-1-en-2-yl-3,3a,4,5,7,7a-hexahydro-1-benzofuran-3-yl)ethyl]-6-methyl-5-prop-1-en-2-yl-4,5,7,7a-tetrahydro-1-benzofuran-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/1cc78240-85ab-11ee-b583-3d2a3d4e4931.jpg "2D Structure of 6-Ethenyl-3-[2-(6-ethenyl-6-methyl-2-oxo-5-prop-1-en-2-yl-3,3a,4,5,7,7a-hexahydro-1-benzofuran-3-yl)ethyl]-6-methyl-5-prop-1-en-2-yl-4,5,7,7a-tetrahydro-1-benzofuran-2-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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.34% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.73% | 91.11% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 94.46% | 96.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.91% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.89% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.47% | 96.09% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 88.36% | 97.05% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.05% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.36% | 97.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.95% | 91.19% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 83.85% | 91.49% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.71% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.55% | 98.95% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 81.76% | 91.24% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.00% | 94.73% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.70% | 94.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.63% | 86.33% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.55% | 97.14% |
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.
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| There are no matching plants. |
| PubChem | 163049587 |
| LOTUS | LTS0100506 |
| wikiData | Q105360627 |