[11-[3-(3,4-Dihydroxyphenyl)prop-2-enoyloxy]-2,3,10,19,20-pentahydroxy-6,16-dioxo-7,12,15,24-tetraoxapentacyclo[19.2.1.05,23.08,13.017,22]tetracosa-1(23),2,4,17,19,21-hexaen-9-yl] 3,4,5-trihydroxybenzoate
Internal ID | 2175a460-81d0-4d49-a8f9-bbce45e088bf |
Taxonomy | Phenylpropanoids and polyketides > Tannins > Hydrolyzable tannins |
IUPAC Name | [11-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-2,3,10,19,20-pentahydroxy-6,16-dioxo-7,12,15,24-tetraoxapentacyclo[19.2.1.05,23.08,13.017,22]tetracosa-1(23),2,4,17,19,21-hexaen-9-yl] 3,4,5-trihydroxybenzoate |
SMILES (Canonical) | C1C2C(C(C(C(O2)OC(=O)C=CC3=CC(=C(C=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C6=C5C7=C(O6)C(=C(C=C7C(=O)O1)O)O)O)O |
SMILES (Isomeric) | C1C2C(C(C(C(O2)OC(=O)C=CC3=CC(=C(C=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C6=C5C7=C(O6)C(=C(C=C7C(=O)O1)O)O)O)O |
InChI | InChI=1S/C36H26O20/c37-15-3-1-11(5-16(15)38)2-4-22(43)53-36-28(47)32(56-33(48)12-6-17(39)25(44)18(40)7-12)29-21(52-36)10-51-34(49)13-8-19(41)26(45)30-23(13)24-14(35(50)55-29)9-20(42)27(46)31(24)54-30/h1-9,21,28-29,32,36-42,44-47H,10H2 |
InChI Key | WUIXNJUCTSTFHT-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C36H26O20 |
Molecular Weight | 778.60 g/mol |
Exact Mass | 778.10174321 g/mol |
Topological Polar Surface Area (TPSA) | 330.00 Ų |
XlogP | 2.80 |
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 | 99.84% | 91.49% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.81% | 91.11% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.72% | 89.00% |
CHEMBL3194 | P02766 | Transthyretin | 96.64% | 90.71% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.16% | 86.33% |
CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 95.70% | 83.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.35% | 95.56% |
CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 90.52% | 89.34% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.79% | 99.23% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.61% | 95.89% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.01% | 96.00% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.33% | 97.09% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.88% | 99.17% |
CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 85.39% | 91.71% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.99% | 95.50% |
CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 83.25% | 95.17% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.71% | 100.00% |
CHEMBL4208 | P20618 | Proteasome component C5 | 82.45% | 90.00% |
CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 81.36% | 96.00% |
CHEMBL2581 | P07339 | Cathepsin D | 80.84% | 98.95% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.42% | 92.62% |
CHEMBL5678 | P34947 | G protein-coupled receptor kinase 5 | 80.27% | 88.00% |
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.
Balanophora japonica |
PubChem | 72973484 |
LOTUS | LTS0215543 |
wikiData | Q105313086 |