CID 16167198
Internal ID | 05640990-e4bc-4ec7-9b5a-090f38852d44 |
Taxonomy | Phenylpropanoids and polyketides > Tannins > Complex tannins |
IUPAC Name | |
SMILES (Canonical) | C1C(C(OC2=C1C(=C(C(=C2)O)C3C4C5C6C(COC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O6)O)O)O)O)O)O)OC(=O)C9=CC(=C(C(=C9C1=C(C(=C(C(=C1O)O)O)C1=C(C3=C(C(=C1O)O)O)C(=O)O4)C(=O)O5)O)O)O)O)C1=CC(=C(C=C1)O)O)O |
SMILES (Isomeric) | C1C(C(OC2=C1C(=C(C(=C2)O)C3C4C5C6C(COC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O6)O)O)O)O)O)O)OC(=O)C9=CC(=C(C(=C9C1=C(C(=C(C(=C1O)O)O)C1=C(C3=C(C(=C1O)O)O)C(=O)O4)C(=O)O5)O)O)O)O)C1=CC(=C(C=C1)O)O)O |
InChI | InChI=1S/C56H38O31/c57-15-2-1-10(3-16(15)58)48-21(63)4-11-22(83-48)8-17(59)27(35(11)64)32-31-34-30(44(73)47(76)45(31)74)29-33-28(42(71)46(75)43(29)72)26-14(7-20(62)38(67)41(26)70)53(78)84-23-9-82-52(77)12-5-18(60)36(65)39(68)24(12)25-13(6-19(61)37(66)40(25)69)54(79)85-49(23)51(87-56(33)81)50(32)86-55(34)80/h1-3,5-8,21,23,32,48-51,57-76H,4,9H2 |
InChI Key | IGVSILAHFPDUTO-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C56H38O31 |
Molecular Weight | 1206.90 g/mol |
Exact Mass | 1206.13970441 g/mol |
Topological Polar Surface Area (TPSA) | 545.00 Ų |
XlogP | 3.00 |
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 |
---|---|---|---|---|
CHEMBL1951 | P21397 | Monoamine oxidase A | 99.81% | 91.49% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.69% | 91.11% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.78% | 85.14% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.43% | 89.00% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 94.19% | 99.15% |
CHEMBL2581 | P07339 | Cathepsin D | 92.90% | 98.95% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.54% | 95.56% |
CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 91.22% | 96.00% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.02% | 97.09% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.10% | 99.23% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.72% | 96.09% |
CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 86.98% | 93.40% |
CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 86.37% | 96.37% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.31% | 95.89% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.59% | 86.33% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.56% | 100.00% |
CHEMBL2535 | P11166 | Glucose transporter | 85.14% | 98.75% |
CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 82.84% | 85.11% |
CHEMBL3401 | O75469 | Pregnane X receptor | 82.15% | 94.73% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.76% | 94.00% |
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.
Psidium guajava |
Quercus acutissima |
Quercus suber |
PubChem | 16167198 |
LOTUS | LTS0188982 |
wikiData | Q105112834 |