4-Hydroxy-3,5,5-trimethyl-4-[3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-1-enyl]cyclohex-2-en-1-one
Internal ID | 5cbbaf15-25a8-4e43-8cf6-ec49d5e144b2 |
Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl glycosides > Fatty acyl glycosides of mono- and disaccharides |
IUPAC Name | 4-hydroxy-3,5,5-trimethyl-4-[3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-1-enyl]cyclohex-2-en-1-one |
SMILES (Canonical) | CC1=CC(=O)CC(C1(C=CC(C)OC2C(C(C(C(O2)CO)O)O)O)O)(C)C |
SMILES (Isomeric) | CC1=CC(=O)CC(C1(C=CC(C)OC2C(C(C(C(O2)CO)O)O)O)O)(C)C |
InChI | InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3 |
InChI Key | SWYRVCGNMNAFEK-UHFFFAOYSA-N |
Popularity | 16 references in papers |
Molecular Formula | C19H30O8 |
Molecular Weight | 386.40 g/mol |
Exact Mass | 386.19406791 g/mol |
Topological Polar Surface Area (TPSA) | 137.00 Ų |
XlogP | -1.00 |
54835-70-0 |
B0005-144025 |
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 | 97.27% | 91.11% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.13% | 97.25% |
CHEMBL2581 | P07339 | Cathepsin D | 94.64% | 98.95% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.64% | 96.09% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.85% | 95.56% |
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.64% | 94.75% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.26% | 86.33% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.84% | 100.00% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.04% | 89.00% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 85.81% | 95.93% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.91% | 97.09% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.90% | 96.00% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 84.08% | 96.77% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.30% | 85.14% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.04% | 95.89% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.89% | 94.45% |
CHEMBL4208 | P20618 | Proteasome component C5 | 81.61% | 90.00% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.47% | 95.89% |
CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.20% | 96.47% |
CHEMBL220 | P22303 | Acetylcholinesterase | 81.15% | 94.45% |
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.
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PubChem | 73815023 |
LOTUS | LTS0170985 |
wikiData | Q104197738 |