CID 16167217
| Internal ID | ab32f7ff-77e8-43b9-90e4-d2a13cb630d0 |
| Taxonomy | Phenylpropanoids and polyketides > Tannins > Hydrolyzable tannins |
| IUPAC Name | |
| 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)O)O)O)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 |
| 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)O)O)O)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 |
| InChI | InChI=1S/C82H58O53/c83-28-1-18(2-29(84)49(28)97)69(109)122-16-42-62(127-70(110)19-3-30(85)50(98)31(86)4-19)65(129-71(111)20-5-32(87)51(99)33(88)6-20)67(79(125-42)133-72(112)21-7-34(89)52(100)35(90)8-21)132-78(118)27-13-39(94)55(103)60(108)61(27)124-41-14-25-46(59(107)57(41)105)45-23(11-38(93)54(102)58(45)106)74(114)123-17-43-63-66(130-76(25)116)68(80(126-43)134-73(113)22-9-36(91)53(101)37(92)10-22)131-75(115)24-12-40(95)56(104)64-47(24)48-26(77(117)128-63)15-44(96)82(121,135-64)81(48,119)120/h1-15,42-43,48,62-63,65-68,79-80,83-95,97-108,119-121H,16-17H2 |
| InChI Key | JJXSFJWVXLIGTA-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 |
|---|---|---|---|---|
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 99.64% | 95.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.50% | 91.11% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 98.55% | 83.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.78% | 94.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.58% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.76% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.03% | 89.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.57% | 96.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.51% | 99.15% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 88.89% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.28% | 98.95% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 87.71% | 92.50% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 87.63% | 94.42% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 86.38% | 91.49% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.84% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.58% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.21% | 97.25% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 85.03% | 97.21% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.16% | 91.19% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 83.94% | 96.38% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.83% | 92.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.66% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.43% | 90.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.90% | 99.17% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 82.49% | 96.90% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.82% | 95.50% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.52% | 91.07% |
| CHEMBL3891 | P07384 | Calpain 1 | 81.31% | 93.04% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.86% | 85.14% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 80.66% | 97.00% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 80.54% | 96.61% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.47% | 94.73% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.40% | 98.75% |
| CHEMBL3194 | P02766 | Transthyretin | 80.17% | 90.71% |
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 tirucalli |
| Euphorbia watanabei |
| PubChem | 16167217 |
| LOTUS | LTS0235045 |
| wikiData | Q104397788 |