(3aR,4R,5S,7aS)-1-(2-hydroperoxypropan-2-yl)-4-[(3R)-3-hydroxy-3-methylpent-4-enyl]-3a,5-dimethyl-5,6,7,7a-tetrahydro-3H-inden-4-ol
| Internal ID | 043a5f45-a124-4973-bdfd-f671d3de0a6e |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | (3aR,4R,5S,7aS)-1-(2-hydroperoxypropan-2-yl)-4-[(3R)-3-hydroxy-3-methylpent-4-enyl]-3a,5-dimethyl-5,6,7,7a-tetrahydro-3H-inden-4-ol |
| SMILES (Canonical) | CC1CCC2C(=CCC2(C1(CCC(C)(C=C)O)O)C)C(C)(C)OO |
| SMILES (Isomeric) | C[C@H]1CC[C@@H]2C(=CC[C@]2([C@]1(CC[C@](C)(C=C)O)O)C)C(C)(C)OO |
| InChI | InChI=1S/C20H34O4/c1-7-18(5,21)12-13-20(22)14(2)8-9-16-15(17(3,4)24-23)10-11-19(16,20)6/h7,10,14,16,21-23H,1,8-9,11-13H2,2-6H3/t14-,16+,18-,19+,20+/m0/s1 |
| InChI Key | UZFSKYTVNZVLCY-WOTMYXIFSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H34O4 |
| Molecular Weight | 338.50 g/mol |
| Exact Mass | 338.24570956 g/mol |
| Topological Polar Surface Area (TPSA) | 69.90 Ų |
| XlogP | 2.70 |
| There are no found synonyms. |
![2D Structure of (3aR,4R,5S,7aS)-1-(2-hydroperoxypropan-2-yl)-4-[(3R)-3-hydroxy-3-methylpent-4-enyl]-3a,5-dimethyl-5,6,7,7a-tetrahydro-3H-inden-4-ol](https://plantaedb.com/storage/docs/compounds/2023/11/d0fb5ea0-853f-11ee-b416-23a2d46acf3e.jpg "2D Structure of (3aR,4R,5S,7aS)-1-(2-hydroperoxypropan-2-yl)-4-[(3R)-3-hydroxy-3-methylpent-4-enyl]-3a,5-dimethyl-5,6,7,7a-tetrahydro-3H-inden-4-ol")
| 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 | 98.29% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.93% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.74% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.30% | 97.09% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 87.87% | 97.79% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 87.63% | 90.93% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.83% | 86.33% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.81% | 92.94% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.76% | 94.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.71% | 98.95% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 85.48% | 99.43% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 83.64% | 91.49% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.46% | 95.89% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.49% | 91.07% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.35% | 100.00% |
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 | 163003840 |
| LOTUS | LTS0193239 |
| wikiData | Q105282170 |