6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-2,4a,5,6,7,8-hexahydro-1H-naphthalen-1-ol
Internal ID | ef608feb-bd88-4faf-b625-8e1426a6bd03 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids |
IUPAC Name | 6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-2,4a,5,6,7,8-hexahydro-1H-naphthalen-1-ol |
SMILES (Canonical) | CC1=CCC(C2(C1CC(CC2)C(C)(C)O)C)O |
SMILES (Isomeric) | CC1=CCC(C2(C1CC(CC2)C(C)(C)O)C)O |
InChI | InChI=1S/C15H26O2/c1-10-5-6-13(16)15(4)8-7-11(9-12(10)15)14(2,3)17/h5,11-13,16-17H,6-9H2,1-4H3 |
InChI Key | MOURJLAFUXNWJF-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C15H26O2 |
Molecular Weight | 238.37 g/mol |
Exact Mass | 238.193280068 g/mol |
Topological Polar Surface Area (TPSA) | 40.50 Ų |
XlogP | 2.20 |
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 | 97.37% | 97.25% |
CHEMBL1871 | P10275 | Androgen Receptor | 96.37% | 96.43% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.38% | 97.09% |
CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 88.76% | 93.04% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.60% | 100.00% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.33% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.12% | 96.09% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.10% | 95.89% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.45% | 94.45% |
CHEMBL2581 | P07339 | Cathepsin D | 82.71% | 98.95% |
CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.88% | 93.56% |
CHEMBL2996 | Q05655 | Protein kinase C delta | 81.72% | 97.79% |
CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 81.10% | 94.23% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.83% | 95.56% |
CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 80.52% | 94.62% |
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.
Chimonanthus praecox |
Cryptomeria japonica |
PubChem | 155899197 |
LOTUS | LTS0039679 |
wikiData | Q105169178 |