Ligustrosidic acid
Internal ID | 55311098-bec5-4615-9a96-360018a07072 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides |
IUPAC Name | (2E)-2-[4-[2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl]-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-ylidene]acetic acid |
SMILES (Canonical) | COC(=O)C1=COC(C(=CC(=O)O)C1CC(=O)OCCC2=CC=C(C=C2)O)OC3C(C(C(C(O3)CO)O)O)O |
SMILES (Isomeric) | COC(=O)C1=COC(/C(=C/C(=O)O)/C1CC(=O)OCCC2=CC=C(C=C2)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O |
InChI | InChI=1S/C25H30O14/c1-35-23(34)16-11-37-24(39-25-22(33)21(32)20(31)17(10-26)38-25)15(8-18(28)29)14(16)9-19(30)36-7-6-12-2-4-13(27)5-3-12/h2-5,8,11,14,17,20-22,24-27,31-33H,6-7,9-10H2,1H3,(H,28,29)/b15-8+/t14?,17-,20-,21+,22-,24?,25+/m1/s1 |
InChI Key | DJAAGTPILCOZIR-MSISIIAVSA-N |
Popularity | 0 references in papers |
Molecular Formula | C25H30O14 |
Molecular Weight | 554.50 g/mol |
Exact Mass | 554.16355563 g/mol |
Topological Polar Surface Area (TPSA) | 219.00 Ų |
XlogP | -1.10 |
96382-89-7 |
(2E)-2-[4-[2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl]-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-ylidene]acetic acid |
HY-N6874 |
MS-30115 |
CS-0100461 |
F82430 |
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 |
---|---|---|---|---|
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.16% | 96.09% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.72% | 91.11% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.41% | 99.17% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.62% | 86.33% |
CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 91.09% | 95.64% |
CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 90.93% | 94.62% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.80% | 94.45% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 89.97% | 86.92% |
CHEMBL2581 | P07339 | Cathepsin D | 89.96% | 98.95% |
CHEMBL3401 | O75469 | Pregnane X receptor | 88.45% | 94.73% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.83% | 95.89% |
CHEMBL3891 | P07384 | Calpain 1 | 82.16% | 93.04% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.92% | 95.89% |
CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 80.86% | 94.00% |
CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.84% | 94.33% |
CHEMBL2996 | Q05655 | Protein kinase C delta | 80.77% | 97.79% |
CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.74% | 96.90% |
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.
Ligustrum lucidum |
PubChem | 146014676 |
LOTUS | LTS0164211 |
wikiData | Q104981871 |