Flavogallonic acid dilactone
| Internal ID | ede153d9-e7a2-41fe-91c7-b3064eca7cf1 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Biphenols |
| IUPAC Name | 3,4,5-trihydroxy-2-(7,13,14-trihydroxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaen-6-yl)benzoic acid |
| SMILES (Canonical) | C1=C2C3=C(C(=C1C4=C(C(=C(C=C4C(=O)O)O)O)O)O)OC(=O)C5=CC(=C(C(=C53)OC2=O)O)O |
| SMILES (Isomeric) | C1=C2C3=C(C(=C1C4=C(C(=C(C=C4C(=O)O)O)O)O)O)OC(=O)C5=CC(=C(C(=C53)OC2=O)O)O |
| InChI | InChI=1S/C21H10O12/c22-8-2-5(19(28)29)10(16(27)14(8)25)4-1-6-11-12-7(21(31)32-17(11)13(4)24)3-9(23)15(26)18(12)33-20(6)30/h1-3,22-27H,(H,28,29) |
| InChI Key | ICEBGCDIMFYRLU-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C21H10O12 |
| Molecular Weight | 454.30 g/mol |
| Exact Mass | 454.01722575 g/mol |
| Topological Polar Surface Area (TPSA) | 211.00 Ų |
| XlogP | 1.50 |
| Q5458160 |
| 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 | 99.48% | 91.11% |
| CHEMBL3194 | P02766 | Transthyretin | 95.66% | 90.71% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 94.56% | 89.34% |
| CHEMBL1811 | P34995 | Prostanoid EP1 receptor | 94.52% | 95.71% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 93.23% | 94.42% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 92.48% | 81.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.27% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.92% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.17% | 89.00% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 89.98% | 87.67% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.75% | 99.15% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 88.53% | 95.64% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.63% | 99.23% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 87.40% | 91.49% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.65% | 94.00% |
| CHEMBL5905 | Q04828 | Aldo-keto reductase family 1 member C1 | 84.40% | 91.79% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.65% | 98.75% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 81.35% | 98.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.08% | 94.45% |
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.
| Tamarix aphylla |
| PubChem | 71308199 |
| LOTUS | LTS0057922 |
| wikiData | Q5458160 |