9-[2-(Furan-3-yl)ethyl]-5-hydroxy-9,10,12-trimethyl-2-oxatricyclo[6.3.1.04,12]dodecan-3-one
Internal ID | 691dd0aa-9770-43be-b18a-199c6dc3fcc7 |
Taxonomy | Organoheterocyclic compounds > Lactones > Gamma butyrolactones |
IUPAC Name | 9-[2-(furan-3-yl)ethyl]-5-hydroxy-9,10,12-trimethyl-2-oxatricyclo[6.3.1.04,12]dodecan-3-one |
SMILES (Canonical) | CC1CC2C3(C(C1(C)CCC4=COC=C4)CCC(C3C(=O)O2)O)C |
SMILES (Isomeric) | CC1CC2C3(C(C1(C)CCC4=COC=C4)CCC(C3C(=O)O2)O)C |
InChI | InChI=1S/C20H28O4/c1-12-10-16-20(3)15(5-4-14(21)17(20)18(22)24-16)19(12,2)8-6-13-7-9-23-11-13/h7,9,11-12,14-17,21H,4-6,8,10H2,1-3H3 |
InChI Key | FRKSRKZPPJMBNA-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C20H28O4 |
Molecular Weight | 332.40 g/mol |
Exact Mass | 332.19875937 g/mol |
Topological Polar Surface Area (TPSA) | 59.70 Ų |
XlogP | 3.80 |
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 | 96.71% | 97.25% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.46% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 94.73% | 98.95% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.79% | 97.09% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.23% | 96.09% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.99% | 85.14% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.19% | 95.89% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.03% | 86.33% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.97% | 95.56% |
CHEMBL1902 | P62942 | FK506-binding protein 1A | 84.43% | 97.05% |
CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.02% | 93.00% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.85% | 89.00% |
CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 82.47% | 97.33% |
CHEMBL2996 | Q05655 | Protein kinase C delta | 81.66% | 97.79% |
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.
Nepeta suavis |
PubChem | 162916212 |
LOTUS | LTS0035739 |
wikiData | Q105000228 |