3-(2-Hydroxypropan-2-yl)-5,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol
| Internal ID | ddcf7ca7-8be6-493c-a739-5ecd56d94814 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids |
| IUPAC Name | 3-(2-hydroxypropan-2-yl)-5,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol |
| SMILES (Canonical) | CC1CCCC2(C1(CC(CC2)C(C)(C)O)O)C |
| SMILES (Isomeric) | CC1CCCC2(C1(CC(CC2)C(C)(C)O)O)C |
| InChI | InChI=1S/C15H28O2/c1-11-6-5-8-14(4)9-7-12(13(2,3)16)10-15(11,14)17/h11-12,16-17H,5-10H2,1-4H3 |
| InChI Key | DUMZYTYPNQNWMU-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H28O2 |
| Molecular Weight | 240.38 g/mol |
| Exact Mass | 240.208930132 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 2.90 |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 99.69% | 97.25% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 92.50% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.95% | 91.11% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 90.10% | 97.64% |
| CHEMBL1871 | P10275 | Androgen Receptor | 89.94% | 96.43% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 87.19% | 96.61% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 86.14% | 97.05% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 84.41% | 83.82% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 84.32% | 95.50% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 84.06% | 91.03% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 83.87% | 97.79% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.86% | 97.09% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 83.72% | 95.38% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.48% | 82.69% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.40% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.21% | 95.89% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 82.10% | 89.05% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.83% | 93.04% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.94% | 92.94% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.60% | 97.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 80.21% | 96.09% |
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.
| Alpinia japonica |
| Cryptomeria japonica |
| PubChem | 14219448 |
| LOTUS | LTS0201871 |
| wikiData | Q104989341 |