[(1R,2R,7S,8aR)-1,8a-dimethyl-6-oxo-7-prop-1-en-2-yl-1,2,3,4,7,8-hexahydronaphthalen-2-yl] (Z)-3-[(R)-methylsulfinyl]prop-2-enoate
| Internal ID | e34b839a-bbd5-41da-9b5a-b3d49a512d26 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids |
| IUPAC Name | [(1R,2R,7S,8aR)-1,8a-dimethyl-6-oxo-7-prop-1-en-2-yl-1,2,3,4,7,8-hexahydronaphthalen-2-yl] (Z)-3-[(R)-methylsulfinyl]prop-2-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C19H26O4S/c1-12(2)15-11-19(4)13(3)17(7-6-14(19)10-16(15)20)23-18(21)8-9-24(5)22/h8-10,13,15,17H,1,6-7,11H2,2-5H3/b9-8-/t13-,15-,17+,19+,24+/m0/s1 |
| InChI Key | PUIKQNUXMJPABH-HHBNOITHSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C19H26O4S |
| Molecular Weight | 350.50 g/mol |
| Exact Mass | 350.15518048 g/mol |
| Topological Polar Surface Area (TPSA) | 79.70 Ų |
| XlogP | 2.80 |
| There are no found synonyms. |
![2D Structure of [(1R,2R,7S,8aR)-1,8a-dimethyl-6-oxo-7-prop-1-en-2-yl-1,2,3,4,7,8-hexahydronaphthalen-2-yl] (Z)-3-[(R)-methylsulfinyl]prop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/daf9a340-8838-11ee-ab2c-5bfc16859c97.jpg "2D Structure of [(1R,2R,7S,8aR)-1,8a-dimethyl-6-oxo-7-prop-1-en-2-yl-1,2,3,4,7,8-hexahydronaphthalen-2-yl] (Z)-3-[(R)-methylsulfinyl]prop-2-enoate")
| 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 | 98.81% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.61% | 96.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.21% | 91.49% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 93.20% | 91.19% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.39% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.83% | 85.14% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.59% | 100.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.11% | 92.94% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 85.03% | 83.82% |
| CHEMBL3975 | P09467 | Fructose-1,6-bisphosphatase | 83.74% | 92.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.20% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.50% | 98.95% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.84% | 91.07% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.61% | 99.23% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 80.61% | 97.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.15% | 95.89% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.08% | 95.89% |
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.
| Petasites japonicus |
| PubChem | 162893744 |
| LOTUS | LTS0217276 |
| wikiData | Q105215118 |