4a,8-Dimethyl-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalene-1,8-diol
| Internal ID | 8d1d7b4a-9d12-4023-ac66-a3667acb5b6b |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids |
| IUPAC Name | 4a,8-dimethyl-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalene-1,8-diol |
| SMILES (Canonical) | CC(C)C1CCC2(CCCC(C2C1O)(C)O)C |
| SMILES (Isomeric) | CC(C)C1CCC2(CCCC(C2C1O)(C)O)C |
| InChI | InChI=1S/C15H28O2/c1-10(2)11-6-9-14(3)7-5-8-15(4,17)13(14)12(11)16/h10-13,16-17H,5-9H2,1-4H3 |
| InChI Key | RUGJZFZHTUVOIR-UHFFFAOYSA-N |
| Popularity | 2 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 | 3.40 |
| 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 | 95.62% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.63% | 96.09% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 90.95% | 96.38% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.93% | 94.75% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.45% | 90.17% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 88.32% | 82.69% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.81% | 97.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 86.71% | 95.93% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 84.93% | 95.58% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.90% | 98.95% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 84.45% | 95.38% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.90% | 100.00% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 82.60% | 91.03% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 82.08% | 91.11% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.89% | 100.00% |
| CHEMBL344 | Q99705 | Melanin-concentrating hormone receptor 1 | 81.23% | 92.50% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.17% | 93.04% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 80.92% | 98.10% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 80.81% | 97.79% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.72% | 95.89% |
| CHEMBL4073 | P09237 | Matrix metalloproteinase 7 | 80.49% | 97.56% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.46% | 92.62% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 80.26% | 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.
| Frullania tamarisci |
| Picea koraiensis |
| PubChem | 5256741 |
| LOTUS | LTS0050058 |
| wikiData | Q105245602 |