CID 16185464
| Internal ID | a11b0697-6157-4534-9644-6e88e7589260 |
| Taxonomy | Phenylpropanoids and polyketides > Tannins > Hydrolyzable tannins |
| IUPAC Name | |
| SMILES (Canonical) | C1C2C(C(C3C(O2)OC(=O)C4=CC(=C(C(=C4OC5=C(C=C6C(=C5O)C7=C(C(=C(C=C7C(=O)OC8C9C(COC6=O)OC(C8OC(=O)C2=CC(=C(C4=C2C2C(=CC(=O)C(C2(O)O)(O4)O)C(=O)O9)O)O)OC(=O)C2=CC(=C(C(=C2)O)O)O)O)O)O)OC2=C(C(=C(C=C2C(=O)O3)O)O)O)O)O)O)OC(=O)C2=CC(=C(C(=C2)O)O)O)OC(=O)C2=CC(=C(C(=C2C2=C(C(=C(C=C2C(=O)O1)O)O)O)O)O)O |
| SMILES (Isomeric) | C1C2C(C(C3C(O2)OC(=O)C4=CC(=C(C(=C4OC5=C(C=C6C(=C5O)C7=C(C(=C(C=C7C(=O)OC8C9C(COC6=O)OC(C8OC(=O)C2=CC(=C(C4=C2C2C(=CC(=O)C(C2(O)O)(O4)O)C(=O)O9)O)O)OC(=O)C2=CC(=C(C(=C2)O)O)O)O)O)O)OC2=C(C(=C(C=C2C(=O)O3)O)O)O)O)O)O)OC(=O)C2=CC(=C(C(=C2)O)O)O)OC(=O)C2=CC(=C(C(=C2C2=C(C(=C(C=C2C(=O)O1)O)O)O)O)O)O |
| InChI | InChI=1S/C82H54O53/c83-25-1-15(2-26(84)45(25)94)69(108)129-65-62-36(13-121-71(110)17-5-29(87)47(96)53(102)39(17)40-18(73(112)127-62)6-30(88)48(97)54(40)103)125-80-67(65)132-77(116)23-9-32(90)50(99)57(106)59(23)123-35-11-21-42(56(105)61(35)126-60-24(78(117)134-80)10-33(91)51(100)58(60)107)41-19(7-31(89)49(98)55(41)104)74(113)130-66-63-37(14-122-72(21)111)124-79(133-70(109)16-3-27(85)46(95)28(86)4-16)68(66)131-75(114)20-8-34(92)52(101)64-43(20)44-22(76(115)128-63)12-38(93)82(120,135-64)81(44,118)119/h1-12,36-37,44,62-63,65-68,79-80,83-92,94-107,118-120H,13-14H2 |
| InChI Key | ZIHGZOOHAWGQET-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C82H54O53 |
| Molecular Weight | 1887.30 g/mol |
| Exact Mass | 1886.1530265 g/mol |
| Topological Polar Surface Area (TPSA) | 872.00 Ų |
| XlogP | 1.70 |
| 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 | 99.67% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.84% | 91.49% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 94.11% | 83.00% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 92.79% | 95.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.53% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.06% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.82% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.78% | 99.23% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.83% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.75% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.86% | 97.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.78% | 99.15% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.97% | 91.19% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.42% | 95.89% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.58% | 92.94% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 81.93% | 93.40% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.59% | 96.09% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 81.52% | 97.33% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 80.37% | 94.42% |
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 |
| PubChem | 16185464 |
| LOTUS | LTS0165693 |
| wikiData | Q105376338 |