12-[2-(Furan-3-yl)-2-hydroxyethyl]-5,6,9-trihydroxy-11-methyl-8,14-dioxatetracyclo[7.6.0.01,6.02,12]pentadecan-13-one
Internal ID | bebd9b2b-ddbb-4a10-b752-d9a647b5283a |
Taxonomy | Organoheterocyclic compounds > Lactones > Delta valerolactones |
IUPAC Name | 12-[2-(furan-3-yl)-2-hydroxyethyl]-5,6,9-trihydroxy-11-methyl-8,14-dioxatetracyclo[7.6.0.01,6.02,12]pentadecan-13-one |
SMILES (Canonical) | CC1CC2(C34COC(=O)C1(C3CCC(C4(CO2)O)O)CC(C5=COC=C5)O)O |
SMILES (Isomeric) | CC1CC2(C34COC(=O)C1(C3CCC(C4(CO2)O)O)CC(C5=COC=C5)O)O |
InChI | InChI=1S/C20H26O8/c1-11-6-20(25)18-9-27-16(23)17(11,7-13(21)12-4-5-26-8-12)14(18)2-3-15(22)19(18,24)10-28-20/h4-5,8,11,13-15,21-22,24-25H,2-3,6-7,9-10H2,1H3 |
InChI Key | IUTBXSWMWCPQMR-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C20H26O8 |
Molecular Weight | 394.40 g/mol |
Exact Mass | 394.16276778 g/mol |
Topological Polar Surface Area (TPSA) | 130.00 Ų |
XlogP | -0.80 |
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 |
---|---|---|---|---|
CHEMBL2581 | P07339 | Cathepsin D | 97.35% | 98.95% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.64% | 94.45% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.31% | 96.09% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.06% | 91.11% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.80% | 85.14% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 91.73% | 96.77% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.71% | 89.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.17% | 95.56% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.02% | 97.25% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.96% | 97.09% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.12% | 100.00% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 83.22% | 95.93% |
CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 82.11% | 94.80% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.04% | 95.89% |
CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 81.54% | 89.67% |
CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.99% | 100.00% |
CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.26% | 100.00% |
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 lepicephalum |
PubChem | 162884753 |
LOTUS | LTS0113932 |
wikiData | Q105120815 |