5-[3-[3,4-Dihydroxy-4-[(4-hydroxy-3,5-dimethoxybenzoyl)oxymethyl]oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxybenzoic acid
Internal ID | 65779f6e-994f-43e9-89fa-c45f174f6caf |
Taxonomy | Phenylpropanoids and polyketides > Tannins > Hydrolyzable tannins |
IUPAC Name | 5-[3-[3,4-dihydroxy-4-[(4-hydroxy-3,5-dimethoxybenzoyl)oxymethyl]oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxybenzoic acid |
SMILES (Canonical) | COC1=CC(=CC(=C1O)OC)C(=O)OCC2(COC(C2O)OC3C(C(C(OC3OC4=CC(=C(C=C4)O)C(=O)O)CO)O)O)O |
SMILES (Isomeric) | COC1=CC(=CC(=C1O)OC)C(=O)OCC2(COC(C2O)OC3C(C(C(OC3OC4=CC(=C(C=C4)O)C(=O)O)CO)O)O)O |
InChI | InChI=1S/C27H32O17/c1-38-15-5-11(6-16(39-2)18(15)30)24(36)40-9-27(37)10-41-26(22(27)33)44-21-20(32)19(31)17(8-28)43-25(21)42-12-3-4-14(29)13(7-12)23(34)35/h3-7,17,19-22,25-26,28-33,37H,8-10H2,1-2H3,(H,34,35) |
InChI Key | VFEYSSLJKRGMAH-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C27H32O17 |
Molecular Weight | 628.50 g/mol |
Exact Mass | 628.16394955 g/mol |
Topological Polar Surface Area (TPSA) | 261.00 Ų |
XlogP | -0.50 |
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 | 99.43% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.00% | 96.09% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.80% | 86.33% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.77% | 94.00% |
CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 93.04% | 94.42% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.74% | 99.17% |
CHEMBL4208 | P20618 | Proteasome component C5 | 91.73% | 90.00% |
CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 90.05% | 97.36% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.34% | 95.56% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.24% | 95.89% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.97% | 94.45% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.60% | 96.00% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.05% | 97.09% |
CHEMBL2243 | O00519 | Anandamide amidohydrolase | 87.53% | 97.53% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.06% | 92.94% |
CHEMBL3194 | P02766 | Transthyretin | 87.00% | 90.71% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.66% | 92.62% |
CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 84.45% | 94.33% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.34% | 99.15% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.27% | 89.00% |
CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.38% | 91.07% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.26% | 91.19% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.12% | 90.71% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 80.45% | 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.
Albizia lebbeck |
PubChem | 162891726 |
LOTUS | LTS0267820 |
wikiData | Q105285187 |