(4aS,5S,8R)-8-hydroxy-3-[(1R)-1-hydroxyethyl]-4a,5-dimethyl-5,6,7,8-tetrahydronaphthalen-2-one
Internal ID | 9d47aff4-3a2a-4540-af2a-ec0901f2b388 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids |
IUPAC Name | (4aS,5S,8R)-8-hydroxy-3-[(1R)-1-hydroxyethyl]-4a,5-dimethyl-5,6,7,8-tetrahydronaphthalen-2-one |
SMILES (Canonical) | CC1CCC(C2=CC(=O)C(=CC12C)C(C)O)O |
SMILES (Isomeric) | C[C@H]1CC[C@H](C2=CC(=O)C(=C[C@]12C)[C@@H](C)O)O |
InChI | InChI=1S/C14H20O3/c1-8-4-5-12(16)11-6-13(17)10(9(2)15)7-14(8,11)3/h6-9,12,15-16H,4-5H2,1-3H3/t8-,9+,12+,14+/m0/s1 |
InChI Key | LZHIINUPKAHSAV-LIMOIJHXSA-N |
Popularity | 0 references in papers |
Molecular Formula | C14H20O3 |
Molecular Weight | 236.31 g/mol |
Exact Mass | 236.14124450 g/mol |
Topological Polar Surface Area (TPSA) | 57.50 Ų |
XlogP | 1.50 |
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 |
---|---|---|---|---|
CHEMBL2581 | P07339 | Cathepsin D | 96.85% | 98.95% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.09% | 96.09% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.06% | 95.56% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.57% | 85.14% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.48% | 91.11% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.21% | 97.09% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 87.73% | 96.77% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.83% | 94.45% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.71% | 95.89% |
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.37% | 94.75% |
CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 85.54% | 93.03% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.32% | 89.00% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.59% | 100.00% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.50% | 90.71% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.66% | 99.23% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.43% | 97.25% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.89% | 82.69% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.71% | 97.14% |
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.
Ligularia veitchiana |
PubChem | 163018464 |
LOTUS | LTS0264725 |
wikiData | Q105159872 |