1-[(1S,3aS,6R,7aS)-6-[(2R)-1,2-dihydroxypropan-2-yl]-7a-hydroxy-3a-methyl-2,3,4,5,6,7-hexahydro-1H-inden-1-yl]ethanone
| Internal ID | fd5898f4-1637-4a06-bf65-ea61f3670b21 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | 1-[(1S,3aS,6R,7aS)-6-[(2R)-1,2-dihydroxypropan-2-yl]-7a-hydroxy-3a-methyl-2,3,4,5,6,7-hexahydro-1H-inden-1-yl]ethanone |
| SMILES (Canonical) | CC(=O)C1CCC2(C1(CC(CC2)C(C)(CO)O)O)C |
| SMILES (Isomeric) | CC(=O)[C@H]1CC[C@]2([C@@]1(C[C@@H](CC2)[C@](C)(CO)O)O)C |
| InChI | InChI=1S/C15H26O4/c1-10(17)12-5-7-13(2)6-4-11(8-15(12,13)19)14(3,18)9-16/h11-12,16,18-19H,4-9H2,1-3H3/t11-,12-,13+,14+,15+/m1/s1 |
| InChI Key | OOGCMCFBTNWRDG-MRLBHPIUSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C15H26O4 |
| Molecular Weight | 270.36 g/mol |
| Exact Mass | 270.18310931 g/mol |
| Topological Polar Surface Area (TPSA) | 77.80 Ų |
| XlogP | 0.80 |
| There are no found synonyms. |
![2D Structure of 1-[(1S,3aS,6R,7aS)-6-[(2R)-1,2-dihydroxypropan-2-yl]-7a-hydroxy-3a-methyl-2,3,4,5,6,7-hexahydro-1H-inden-1-yl]ethanone](https://plantaedb.com/storage/docs/compounds/2023/11/fc36e410-8357-11ee-8f3b-9b66e2837776.jpg "2D Structure of 1-[(1S,3aS,6R,7aS)-6-[(2R)-1,2-dihydroxypropan-2-yl]-7a-hydroxy-3a-methyl-2,3,4,5,6,7-hexahydro-1H-inden-1-yl]ethanone")
| 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 | 99.54% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.69% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.12% | 91.11% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 89.81% | 100.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.12% | 94.75% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.90% | 100.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 84.19% | 97.79% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 83.17% | 96.61% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.03% | 94.45% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.97% | 95.50% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.93% | 98.95% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.15% | 100.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.87% | 94.33% |
| CHEMBL1871 | P10275 | Androgen Receptor | 80.58% | 96.43% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.47% | 97.09% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 80.31% | 91.03% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.26% | 91.19% |
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.
| Chiliadenus glutinosus |
| PubChem | 15767869 |
| LOTUS | LTS0097133 |
| wikiData | Q105195366 |