5-O-[2-(3,4-dihydroxyphenyl)ethyl] 1-O-methyl 2-formyl-3-(1-oxobut-2-en-2-yl)pentanedioate
Internal ID | 98068fcc-bacf-4de2-85f5-c8a0b550b6bd |
Taxonomy | Benzenoids > Phenols > Tyrosols and derivatives |
IUPAC Name | 5-O-[2-(3,4-dihydroxyphenyl)ethyl] 1-O-methyl 2-formyl-3-(1-oxobut-2-en-2-yl)pentanedioate |
SMILES (Canonical) | CC=C(C=O)C(CC(=O)OCCC1=CC(=C(C=C1)O)O)C(C=O)C(=O)OC |
SMILES (Isomeric) | CC=C(C=O)C(CC(=O)OCCC1=CC(=C(C=C1)O)O)C(C=O)C(=O)OC |
InChI | InChI=1S/C19H22O8/c1-3-13(10-20)14(15(11-21)19(25)26-2)9-18(24)27-7-6-12-4-5-16(22)17(23)8-12/h3-5,8,10-11,14-15,22-23H,6-7,9H2,1-2H3 |
InChI Key | LTKAHEKEHUYXLZ-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C19H22O8 |
Molecular Weight | 378.40 g/mol |
Exact Mass | 378.13146766 g/mol |
Topological Polar Surface Area (TPSA) | 127.00 Ų |
XlogP | 1.20 |
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 | 98.29% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.90% | 96.09% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.61% | 94.45% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.89% | 99.17% |
CHEMBL2581 | P07339 | Cathepsin D | 91.96% | 98.95% |
CHEMBL3401 | O75469 | Pregnane X receptor | 90.30% | 94.73% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 89.23% | 86.92% |
CHEMBL4208 | P20618 | Proteasome component C5 | 89.17% | 90.00% |
CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 86.24% | 100.00% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.25% | 90.71% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.91% | 99.15% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.75% | 91.19% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.68% | 86.33% |
CHEMBL2535 | P11166 | Glucose transporter | 83.42% | 98.75% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.21% | 96.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.64% | 95.56% |
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.
Olea europaea |
PubChem | 75037702 |
LOTUS | LTS0269599 |
wikiData | Q105156981 |