[2,4,5-Tris[(3,4,5-trihydroxybenzoyl)oxy]-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-3-yl] 2-[[1,13,14,15,18,20,34,35,39,39-decahydroxy-2,5,10,23,31-pentaoxo-28-(3,4,5-trihydroxybenzoyl)oxy-6,9,24,27,30,40-hexaoxaoctacyclo[34.3.1.04,38.07,26.08,29.011,16.017,22.032,37]tetraconta-3,11,13,15,17,19,21,32,34,36-decaen-19-yl]oxy]-3,4,5-trihydroxybenzoate
Internal ID | 51a54da2-7f40-4392-a4fa-01c9b730121a |
Taxonomy | Phenylpropanoids and polyketides > Tannins > Hydrolyzable tannins |
IUPAC Name | [2,4,5-tris[(3,4,5-trihydroxybenzoyl)oxy]-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-3-yl] 2-[[1,13,14,15,18,20,34,35,39,39-decahydroxy-2,5,10,23,31-pentaoxo-28-(3,4,5-trihydroxybenzoyl)oxy-6,9,24,27,30,40-hexaoxaoctacyclo[34.3.1.04,38.07,26.08,29.011,16.017,22.032,37]tetraconta-3,11,13,15,17,19,21,32,34,36-decaen-19-yl]oxy]-3,4,5-trihydroxybenzoate |
SMILES (Canonical) | C1C2C3C(C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C6=C5C7C(=CC(=O)C(C7(O)O)(O6)O)C(=O)O3)O)O)OC(=O)C8=CC(=C(C(=C8C9=C(C(=C(C=C9C(=O)O1)O)OC1=C(C(=C(C=C1C(=O)OC1C(C(C(OC1OC(=O)C1=CC(=C(C(=C1)O)O)O)COC(=O)C1=CC(=C(C(=C1)O)O)O)OC(=O)C1=CC(=C(C(=C1)O)O)O)OC(=O)C1=CC(=C(C(=C1)O)O)O)O)O)O)O)O)O)O |
SMILES (Isomeric) | C1C2C3C(C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C6=C5C7C(=CC(=O)C(C7(O)O)(O6)O)C(=O)O3)O)O)OC(=O)C8=CC(=C(C(=C8C9=C(C(=C(C=C9C(=O)O1)O)OC1=C(C(=C(C=C1C(=O)OC1C(C(C(OC1OC(=O)C1=CC(=C(C(=C1)O)O)O)COC(=O)C1=CC(=C(C(=C1)O)O)O)OC(=O)C1=CC(=C(C(=C1)O)O)O)OC(=O)C1=CC(=C(C(=C1)O)O)O)O)O)O)O)O)O)O |
InChI | InChI=1S/C82H58O53/c83-28-1-18(2-29(84)49(28)98)69(109)122-16-42-62(127-70(110)19-3-30(85)50(99)31(86)4-19)65(129-71(111)20-5-32(87)51(100)33(88)6-20)67(79(124-42)133-72(112)21-7-34(89)52(101)35(90)8-21)132-78(118)27-14-39(94)55(104)59(108)60(27)126-61-41(96)13-23-46(58(61)107)45-24(11-38(93)54(103)57(45)106)75(115)130-66-63-43(17-123-74(23)114)125-80(134-73(113)22-9-36(91)53(102)37(92)10-22)68(66)131-76(116)25-12-40(95)56(105)64-47(25)48-26(77(117)128-63)15-44(97)82(121,135-64)81(48,119)120/h1-15,42-43,48,62-63,65-68,79-80,83-96,98-108,119-121H,16-17H2 |
InChI Key | DPCXPBUBOLNPEU-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C82H58O53 |
Molecular Weight | 1891.30 g/mol |
Exact Mass | 1890.1843267 g/mol |
Topological Polar Surface Area (TPSA) | 883.00 Ų |
XlogP | 2.10 |
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 | 99.64% | 91.11% |
CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 99.48% | 95.17% |
CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 98.26% | 83.00% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.29% | 97.09% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.01% | 94.00% |
CHEMBL2581 | P07339 | Cathepsin D | 90.54% | 98.95% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.30% | 86.33% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.66% | 99.15% |
CHEMBL5255 | O00206 | Toll-like receptor 4 | 87.37% | 92.50% |
CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 86.96% | 94.42% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.65% | 89.00% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.50% | 97.25% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.47% | 96.09% |
CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 85.30% | 96.37% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.35% | 99.23% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 83.83% | 91.49% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.51% | 92.62% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.42% | 85.14% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.31% | 91.19% |
CHEMBL4208 | P20618 | Proteasome component C5 | 82.22% | 90.00% |
CHEMBL4581 | P52732 | Kinesin-like protein 1 | 81.59% | 93.18% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.47% | 95.89% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.27% | 99.17% |
CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.13% | 91.07% |
CHEMBL3401 | O75469 | Pregnane X receptor | 80.50% | 94.73% |
CHEMBL3891 | P07384 | Calpain 1 | 80.42% | 93.04% |
CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.25% | 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.
Euphorbia hirta |
Euphorbia humifusa |
Euphorbia maculata |
Euphorbia watanabei |
PubChem | 162914757 |
LOTUS | LTS0079487 |
wikiData | Q104403230 |