(2S,3S,4R,5R)-2-[(E)-4-[(2S,3S)-3-[(3R,4R)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]-3-methyloxiran-2-yl]-2-methylbut-3-en-2-yl]oxyoxane-3,4,5-triol
| Internal ID | 480410d2-4a88-4183-93ec-f9a481a58535 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (2S,3S,4R,5R)-2-[(E)-4-[(2S,3S)-3-[(3R,4R)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]-3-methyloxiran-2-yl]-2-methylbut-3-en-2-yl]oxyoxane-3,4,5-triol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H40O6/c1-8-24(6)12-9-16(13-17(24)15(2)3)25(7)19(30-25)10-11-23(4,5)31-22-21(28)20(27)18(26)14-29-22/h8,10-11,16-22,26-28H,1-2,9,12-14H2,3-7H3/b11-10+/t16?,17-,18-,19+,20-,21+,22+,24+,25+/m1/s1 |
| InChI Key | NFYBOATXDWRMRL-ZKWDNSAFSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C25H40O6 |
| Molecular Weight | 436.60 g/mol |
| Exact Mass | 436.28248899 g/mol |
| Topological Polar Surface Area (TPSA) | 91.70 Ų |
| XlogP | 3.10 |
| There are no found synonyms. |
![2D Structure of (2S,3S,4R,5R)-2-[(E)-4-[(2S,3S)-3-[(3R,4R)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]-3-methyloxiran-2-yl]-2-methylbut-3-en-2-yl]oxyoxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/a2664940-85b9-11ee-8d17-4d28b7f94fef.jpg "2D Structure of (2S,3S,4R,5R)-2-[(E)-4-[(2S,3S)-3-[(3R,4R)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]-3-methyloxiran-2-yl]-2-methylbut-3-en-2-yl]oxyoxane-3,4,5-triol")
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.81% | 97.25% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.66% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.19% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.23% | 96.09% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 91.77% | 96.61% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 91.01% | 95.38% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 89.33% | 92.51% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 88.74% | 97.14% |
| CHEMBL1871 | P10275 | Androgen Receptor | 88.73% | 96.43% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 88.03% | 95.69% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 87.56% | 91.03% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.22% | 97.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.00% | 92.94% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.59% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.91% | 95.89% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 85.46% | 97.33% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 85.35% | 97.31% |
| CHEMBL3572 | P11597 | Cholesteryl ester transfer protein | 84.92% | 92.67% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 84.59% | 100.00% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 83.49% | 97.05% |
| CHEMBL5028 | O14672 | ADAM10 | 83.32% | 97.50% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.27% | 91.07% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.87% | 95.50% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.69% | 85.14% |
| CHEMBL344 | Q99705 | Melanin-concentrating hormone receptor 1 | 82.38% | 92.50% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 81.98% | 98.99% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 81.98% | 97.28% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.10% | 96.77% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 81.07% | 94.62% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 80.49% | 82.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.00% | 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.
| There are no matching plants. |
| PubChem | 101601074 |
| LOTUS | LTS0185004 |
| wikiData | Q105178751 |