[11-(Furan-3-yl)-7-hydroxy-9,13-dimethyl-4-oxospiro[10,14-dioxatetracyclo[9.2.1.01,6.09,13]tetradecane-5,2'-oxirane]-6-yl]methyl acetate
Internal ID | 53e1dc78-bd31-4801-92a9-f54238025853 |
Taxonomy | Organoheterocyclic compounds > Naphthofurans |
IUPAC Name | [11-(furan-3-yl)-7-hydroxy-9,13-dimethyl-4-oxospiro[10,14-dioxatetracyclo[9.2.1.01,6.09,13]tetradecane-5,2'-oxirane]-6-yl]methyl acetate |
SMILES (Canonical) | CC(=O)OCC12C(CC3(C4(C1(CCC(=O)C25CO5)OC(C4)(O3)C6=COC=C6)C)C)O |
SMILES (Isomeric) | CC(=O)OCC12C(CC3(C4(C1(CCC(=O)C25CO5)OC(C4)(O3)C6=COC=C6)C)C)O |
InChI | InChI=1S/C22H26O8/c1-13(23)27-11-19-16(25)8-18(3)17(2)10-21(29-18,14-5-7-26-9-14)30-22(17,19)6-4-15(24)20(19)12-28-20/h5,7,9,16,25H,4,6,8,10-12H2,1-3H3 |
InChI Key | YJFASSMQGOHSIM-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C22H26O8 |
Molecular Weight | 418.40 g/mol |
Exact Mass | 418.16276778 g/mol |
Topological Polar Surface Area (TPSA) | 108.00 Ų |
XlogP | 0.00 |
There are no found synonyms. |
![2D Structure of [11-(Furan-3-yl)-7-hydroxy-9,13-dimethyl-4-oxospiro[10,14-dioxatetracyclo[9.2.1.01,6.09,13]tetradecane-5,2'-oxirane]-6-yl]methyl acetate 2D Structure of [11-(Furan-3-yl)-7-hydroxy-9,13-dimethyl-4-oxospiro[10,14-dioxatetracyclo[9.2.1.01,6.09,13]tetradecane-5,2'-oxirane]-6-yl]methyl acetate](https://plantaedb.com/storage/docs/compounds/2023/11/0979ba70-86cb-11ee-929a-71f3caa40dcf.jpg)
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 |
---|---|---|---|---|
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.74% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.16% | 96.09% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.68% | 94.45% |
CHEMBL2581 | P07339 | Cathepsin D | 91.03% | 98.95% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.64% | 85.14% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.50% | 86.33% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.46% | 99.23% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.19% | 97.09% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.16% | 95.56% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.65% | 89.00% |
CHEMBL3524 | P56524 | Histone deacetylase 4 | 85.89% | 92.97% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.60% | 97.25% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 83.11% | 91.49% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.99% | 82.69% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.80% | 100.00% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.77% | 90.17% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.16% | 91.19% |
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.87% | 94.75% |
CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 80.44% | 95.71% |
CHEMBL5028 | O14672 | ADAM10 | 80.33% | 97.50% |
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.
Teucrium orientale |
PubChem | 162890337 |
LOTUS | LTS0132302 |
wikiData | Q105349217 |