[5-[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,4-dihydroxyoxan-2-yl]methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
Internal ID | 46675807-0220-4eee-96a6-e9e58fdd5bc7 |
Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives > Coumaric acids and derivatives |
IUPAC Name | [5-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,4-dihydroxyoxan-2-yl]methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate |
SMILES (Canonical) | C1C(C(C(O1)OC2C(C(C(OC2OCCC3=CC(=C(C=C3)O)O)COC(=O)C=CC4=CC(=C(C=C4)O)O)O)O)O)(CO)O |
SMILES (Isomeric) | C1C(C(C(O1)OC2C(C(C(OC2OCCC3=CC(=C(C=C3)O)O)COC(=O)C=CC4=CC(=C(C=C4)O)O)O)O)O)(CO)O |
InChI | InChI=1S/C28H34O15/c29-12-28(38)13-41-27(25(28)37)43-24-23(36)22(35)20(11-40-21(34)6-3-14-1-4-16(30)18(32)9-14)42-26(24)39-8-7-15-2-5-17(31)19(33)10-15/h1-6,9-10,20,22-27,29-33,35-38H,7-8,11-13H2 |
InChI Key | NSDMGXRVIBQWAN-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C28H34O15 |
Molecular Weight | 610.60 g/mol |
Exact Mass | 610.18977037 g/mol |
Topological Polar Surface Area (TPSA) | 245.00 Ų |
XlogP | -0.60 |
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 | 99.77% | 91.11% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 98.37% | 95.93% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 97.02% | 91.49% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.90% | 94.45% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.86% | 86.33% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.84% | 89.00% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 93.26% | 96.00% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 92.31% | 86.92% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.17% | 97.09% |
CHEMBL3194 | P02766 | Transthyretin | 90.66% | 90.71% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.55% | 96.09% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.64% | 95.56% |
CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 88.25% | 94.62% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.84% | 95.89% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.44% | 99.17% |
CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 86.03% | 95.17% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.08% | 90.17% |
CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.43% | 96.95% |
CHEMBL3401 | O75469 | Pregnane X receptor | 84.25% | 94.73% |
CHEMBL4208 | P20618 | Proteasome component C5 | 83.78% | 90.00% |
CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 82.63% | 96.61% |
CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.00% | 94.33% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.97% | 90.71% |
CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 81.90% | 80.78% |
CHEMBL2581 | P07339 | Cathepsin D | 81.60% | 98.95% |
CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 81.11% | 96.37% |
CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 80.91% | 94.00% |
CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 80.10% | 92.32% |
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.
Lepisorus contortus |
PubChem | 75605112 |
LOTUS | LTS0186367 |
wikiData | Q105184977 |