(4aS,7R)-1,4a-dimethyl-7-(1,2,3-trihydroxypropan-2-yl)-3,4,5,6,7,8-hexahydronaphthalen-2-one
| Internal ID | c54d4a86-50fd-44d6-b0b4-68c9ecfa610b |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids |
| IUPAC Name | (4aS,7R)-1,4a-dimethyl-7-(1,2,3-trihydroxypropan-2-yl)-3,4,5,6,7,8-hexahydronaphthalen-2-one |
| SMILES (Canonical) | CC1=C2CC(CCC2(CCC1=O)C)C(CO)(CO)O |
| SMILES (Isomeric) | CC1=C2C[C@@H](CC[C@]2(CCC1=O)C)C(CO)(CO)O |
| InChI | InChI=1S/C15H24O4/c1-10-12-7-11(15(19,8-16)9-17)3-5-14(12,2)6-4-13(10)18/h11,16-17,19H,3-9H2,1-2H3/t11-,14+/m1/s1 |
| InChI Key | WYTBKFXLHDEVKL-RISCZKNCSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H24O4 |
| Molecular Weight | 268.35 g/mol |
| Exact Mass | 268.16745924 g/mol |
| Topological Polar Surface Area (TPSA) | 77.80 Ų |
| XlogP | 0.20 |
| There are no found synonyms. |
| 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 | 94.32% | 91.11% |
| CHEMBL1871 | P10275 | Androgen Receptor | 92.78% | 96.43% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.71% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.56% | 97.25% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.90% | 94.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.04% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.73% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.00% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.89% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.95% | 95.89% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.42% | 100.00% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 81.14% | 97.05% |
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.
| Achillea holosericea |
| Pseudelephantopus spicatus |
| PubChem | 5320341 |
| LOTUS | LTS0220818 |
| wikiData | Q105322531 |