CID 16174846
Internal ID | 0e59f152-4b68-40d1-afae-8a495813195d |
Taxonomy | Phenylpropanoids and polyketides > Tannins > Hydrolyzable tannins |
IUPAC Name | |
SMILES (Canonical) | C1C2C(C3C(C(O2)OC(=O)C4=CC(=C(C(=C4OC5=C(C(=C6C(=C5)C(=O)OCC(C(OC(=O)C7=CC(=C(C(=C76)O)O)O)C8C9C(C2=C(C(=C(C(=C2C(=O)O9)C2=C(C(=C(C=C2C(=O)O8)O)O)O)O)O)O)O)OC(=O)C2=CC(=C(C(=C2)O)O)O)O)O)O)O)O)OC(=O)C2=CC(=C(C(=C2C2=C(C(=C(C=C2C(=O)O3)O)O)O)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) | C1[C@@H]2[C@H]([C@H]3[C@H]([C@@H](O2)OC(=O)C4=CC(=C(C(=C4OC5=C(C(=C6C(=C5)C(=O)OC[C@H]([C@@H](OC(=O)C7=CC(=C(C(=C76)O)O)O)[C@H]8[C@@H]9[C@@H](C2=C(C(=C(C(=C2C(=O)O9)C2=C(C(=C(C=C2C(=O)O8)O)O)O)O)O)O)O)OC(=O)C2=CC(=C(C(=C2)O)O)O)O)O)O)O)O)OC(=O)C2=CC(=C(C(=C2C2=C(C(=C(C=C2C(=O)O3)O)O)O)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/C82H54O52/c83-22-1-13(2-23(84)44(22)92)72(113)126-32-11-123-74(115)20-10-31(52(100)59(107)39(20)38-16(5-26(87)49(97)57(38)105)75(116)128-66(32)69-68-62(110)43-42(81(122)130-68)41(60(108)63(111)61(43)109)40-19(78(119)131-69)8-29(90)50(98)58(40)106)125-65-21(9-30(91)51(99)64(65)112)80(121)134-82-71-70(132-77(118)17-6-27(88)47(95)55(103)36(17)37-18(79(120)133-71)7-28(89)48(96)56(37)104)67-33(127-82)12-124-73(114)14-3-24(85)45(93)53(101)34(14)35-15(76(117)129-67)4-25(86)46(94)54(35)102/h1-10,32-33,62,66-71,82-112H,11-12H2/t32-,33-,62-,66-,67-,68+,69+,70+,71-,82+/m1/s1 |
InChI Key | WUZNCOSZTLIRDF-MAAXHAMKSA-N |
Popularity | 0 references in papers |
Molecular Formula | C82H54O52 |
Molecular Weight | 1871.30 g/mol |
Exact Mass | 1870.1581119 g/mol |
Topological Polar Surface Area (TPSA) | 888.00 Ų |
XlogP | 2.20 |
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 | 98.28% | 91.11% |
CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 96.31% | 95.17% |
CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 96.08% | 97.21% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 95.91% | 91.49% |
CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 95.85% | 83.00% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.90% | 94.00% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.14% | 99.17% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.02% | 89.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.13% | 86.33% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.97% | 99.15% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.47% | 95.56% |
CHEMBL2535 | P11166 | Glucose transporter | 89.43% | 98.75% |
CHEMBL220 | P22303 | Acetylcholinesterase | 89.20% | 94.45% |
CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 89.19% | 95.78% |
CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 89.07% | 96.00% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.72% | 99.23% |
CHEMBL3194 | P02766 | Transthyretin | 88.25% | 90.71% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.23% | 95.89% |
CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 86.05% | 94.42% |
CHEMBL1899 | P46098 | Serotonin 3a (5-HT3a) receptor | 84.32% | 100.00% |
CHEMBL3401 | O75469 | Pregnane X receptor | 83.32% | 94.73% |
CHEMBL4208 | P20618 | Proteasome component C5 | 82.97% | 90.00% |
CHEMBL4530 | P00488 | Coagulation factor XIII | 82.87% | 96.00% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.78% | 97.09% |
CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.77% | 96.95% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.62% | 100.00% |
CHEMBL2581 | P07339 | Cathepsin D | 81.56% | 98.95% |
CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 81.41% | 83.57% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.38% | 95.50% |
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.
Corylus heterophylla |
PubChem | 16174846 |
LOTUS | LTS0233753 |
wikiData | Q105313402 |