[6-[[1,4a-dimethyl-6-methylidene-5-[2-(5-oxo-2H-furan-4-yl)ethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate
Internal ID | dd83b53d-aed0-4114-be07-9bcfa607284d |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides > Diterpene glycosides |
IUPAC Name | [6-[[1,4a-dimethyl-6-methylidene-5-[2-(5-oxo-2H-furan-4-yl)ethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate |
SMILES (Canonical) | CC(=O)OCC1C(C(C(C(O1)OCC2(CCCC3(C2CCC(=C)C3CCC4=CCOC4=O)C)C)O)O)O |
SMILES (Isomeric) | CC(=O)OCC1C(C(C(C(O1)OCC2(CCCC3(C2CCC(=C)C3CCC4=CCOC4=O)C)C)O)O)O |
InChI | InChI=1S/C28H42O9/c1-16-6-9-21-27(3,11-5-12-28(21,4)19(16)8-7-18-10-13-34-25(18)33)15-36-26-24(32)23(31)22(30)20(37-26)14-35-17(2)29/h10,19-24,26,30-32H,1,5-9,11-15H2,2-4H3 |
InChI Key | LIIMOJLTWWSQGN-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C28H42O9 |
Molecular Weight | 522.60 g/mol |
Exact Mass | 522.28288291 g/mol |
Topological Polar Surface Area (TPSA) | 132.00 Ų |
XlogP | 2.60 |
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 |
---|---|---|---|---|
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.26% | 91.11% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 99.00% | 97.25% |
CHEMBL2581 | P07339 | Cathepsin D | 96.32% | 98.95% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.62% | 94.45% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.55% | 97.09% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.44% | 96.09% |
CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 89.90% | 96.61% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.29% | 86.33% |
CHEMBL5255 | O00206 | Toll-like receptor 4 | 89.00% | 92.50% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 88.01% | 95.50% |
CHEMBL5028 | O14672 | ADAM10 | 86.76% | 97.50% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.73% | 95.56% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.56% | 89.00% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.80% | 100.00% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 84.60% | 91.49% |
CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 84.49% | 94.80% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 84.43% | 96.77% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.80% | 82.69% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.76% | 92.62% |
CHEMBL3401 | O75469 | Pregnane X receptor | 83.74% | 94.73% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.36% | 95.89% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.22% | 91.19% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 80.60% | 95.93% |
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.
Andrographis paniculata |
Potamogeton natans |
PubChem | 85261364 |
LOTUS | LTS0160672 |
wikiData | Q105152202 |