(4aR,6R,8aR)-4a-hydroxy-8a-methyl-4-methylidene-6-propan-2-yl-2,3,5,6,7,8-hexahydronaphthalen-1-one
| Internal ID | d84fed05-d5ce-4dcf-a185-5becf9ea8dc5 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids |
| IUPAC Name | (4aR,6R,8aR)-4a-hydroxy-8a-methyl-4-methylidene-6-propan-2-yl-2,3,5,6,7,8-hexahydronaphthalen-1-one |
| SMILES (Canonical) | CC(C)C1CCC2(C(=O)CCC(=C)C2(C1)O)C |
| SMILES (Isomeric) | CC(C)[C@@H]1CC[C@]2(C(=O)CCC(=C)[C@@]2(C1)O)C |
| InChI | InChI=1S/C15H24O2/c1-10(2)12-7-8-14(4)13(16)6-5-11(3)15(14,17)9-12/h10,12,17H,3,5-9H2,1-2,4H3/t12-,14+,15-/m1/s1 |
| InChI Key | FBFPIPZUUNYSEA-VHDGCEQUSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C15H24O2 |
| Molecular Weight | 236.35 g/mol |
| Exact Mass | 236.177630004 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 Ų |
| XlogP | 2.40 |
| 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 | 95.32% | 97.25% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 92.15% | 94.75% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.38% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.98% | 96.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 88.64% | 82.69% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 88.36% | 96.38% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.63% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.22% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.08% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.06% | 97.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.04% | 90.17% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.21% | 99.23% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 80.60% | 98.03% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.28% | 90.71% |
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.
| Jacobaea ambracea |
| PubChem | 163190198 |
| LOTUS | LTS0196063 |
| wikiData | Q104992606 |