4-(3-Hydroxybutyl)-5,5-dimethyl-1-oxaspiro[2.5]octan-7-one
Internal ID | 4c634075-2fa0-4b01-8cd2-de6866a1b829 |
Taxonomy | Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Secondary alcohols |
IUPAC Name | 4-(3-hydroxybutyl)-5,5-dimethyl-1-oxaspiro[2.5]octan-7-one |
SMILES (Canonical) | CC(CCC1C(CC(=O)CC12CO2)(C)C)O |
SMILES (Isomeric) | CC(CCC1C(CC(=O)CC12CO2)(C)C)O |
InChI | InChI=1S/C13H22O3/c1-9(14)4-5-11-12(2,3)6-10(15)7-13(11)8-16-13/h9,11,14H,4-8H2,1-3H3 |
InChI Key | HYNHXOXLUXVTRM-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C13H22O3 |
Molecular Weight | 226.31 g/mol |
Exact Mass | 226.15689456 g/mol |
Topological Polar Surface Area (TPSA) | 49.80 Ų |
XlogP | 1.10 |
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 |
---|---|---|---|---|
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.08% | 85.14% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.67% | 97.25% |
CHEMBL2581 | P07339 | Cathepsin D | 95.11% | 98.95% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.23% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.21% | 96.09% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.17% | 94.45% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.97% | 95.56% |
CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 84.12% | 89.34% |
CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.10% | 96.47% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.78% | 97.09% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 82.05% | 96.77% |
CHEMBL3401 | O75469 | Pregnane X receptor | 81.78% | 94.73% |
CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 80.20% | 98.75% |
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.
Helianthus annuus |
Macaranga tanarius |
PubChem | 78385237 |
LOTUS | LTS0262614 |
wikiData | Q105035391 |