8-Acetoxypatchouli alcohol
| Internal ID | 11d17de9-217d-4d99-a565-bd246291f0c2 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Tertiary alcohols |
| IUPAC Name | [(1R,3R,6S,7S,8S,10R)-3-hydroxy-2,2,6,8-tetramethyl-10-tricyclo[5.3.1.03,8]undecanyl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C17H28O3/c1-10-6-7-17(19)15(3,4)13-8-12(10)16(17,5)9-14(13)20-11(2)18/h10,12-14,19H,6-9H2,1-5H3/t10-,12-,13-,14+,16-,17+/m0/s1 |
| InChI Key | RAPAFGOPSFDECW-UCDKGCPTSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C17H28O3 |
| Molecular Weight | 280.40 g/mol |
| Exact Mass | 280.20384475 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 3.30 |
| 8-acetoxyl-pathchouli alcohol |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.93% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.05% | 97.25% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.67% | 82.69% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.64% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.63% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.77% | 94.45% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.99% | 100.00% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 83.45% | 95.71% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 82.87% | 95.38% |
| CHEMBL4660 | P28907 | Lymphocyte differentiation antigen CD38 | 82.55% | 95.27% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 81.73% | 89.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.72% | 97.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.61% | 91.19% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.24% | 92.94% |
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.
| Valeriana officinalis |
| PubChem | 25082525 |
| LOTUS | LTS0052532 |
| wikiData | Q105232782 |