[6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-2,4a,5,6,7,8-hexahydro-1H-naphthalen-1-yl] acetate
Internal ID | 927ad5f5-c010-4e21-b167-6d9d001ca9cf |
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-yl] acetate |
SMILES (Canonical) | CC1=CCC(C2(C1CC(CC2)C(C)(C)O)C)OC(=O)C |
SMILES (Isomeric) | CC1=CCC(C2(C1CC(CC2)C(C)(C)O)C)OC(=O)C |
InChI | InChI=1S/C17H28O3/c1-11-6-7-15(20-12(2)18)17(5)9-8-13(10-14(11)17)16(3,4)19/h6,13-15,19H,7-10H2,1-5H3 |
InChI Key | XMGIZKYPGMHBEN-UHFFFAOYSA-N |
Popularity | 0 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 | 2.70 |
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 |
---|---|---|---|---|
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.07% | 94.45% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.89% | 97.25% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.42% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.28% | 96.09% |
CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 91.56% | 93.04% |
CHEMBL1871 | P10275 | Androgen Receptor | 91.03% | 96.43% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.96% | 97.09% |
CHEMBL2581 | P07339 | Cathepsin D | 85.36% | 98.95% |
CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 85.16% | 94.62% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.13% | 95.56% |
CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.75% | 93.56% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.03% | 100.00% |
CHEMBL5028 | O14672 | ADAM10 | 83.21% | 97.50% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.95% | 89.00% |
CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 82.72% | 94.23% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.89% | 95.89% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.60% | 91.19% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.28% | 86.33% |
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.
Cryptomeria japonica |
PubChem | 162932525 |
LOTUS | LTS0136354 |
wikiData | Q105330768 |