Sanguisorbic acid dilactone
| Internal ID | a7cc9d4b-63bd-4b32-af02-9f49a8c59e21 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Hydroxybenzoic acid derivatives > Gallic acid and derivatives |
| IUPAC Name | 3,4-dihydroxy-5-[(3,6,10,13-tetrahydroxy-7,14-dioxo-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),3,5,8(16),10,12-hexaen-5-yl)oxy]benzoic acid |
| SMILES (Canonical) | C1=C(C=C(C(=C1O)O)OC2=C(C(=O)C3=C4C2=C(OC5=C4C(=C(O3)O)C=C(C5=O)O)O)O)C(=O)O |
| SMILES (Isomeric) | C1=C(C=C(C(=C1O)O)OC2=C(C(=O)C3=C4C2=C(OC5=C4C(=C(O3)O)C=C(C5=O)O)O)O)C(=O)O |
| InChI | InChI=1S/C21H10O13/c22-6-1-4(19(28)29)2-8(12(6)24)32-18-11-10-9-5(20(30)33-17(10)14(26)15(18)27)3-7(23)13(25)16(9)34-21(11)31/h1-3,22-24,27,30-31H,(H,28,29) |
| InChI Key | KENINNFPWDPMKJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H10O13 |
| Molecular Weight | 470.30 g/mol |
| Exact Mass | 470.01214037 g/mol |
| Topological Polar Surface Area (TPSA) | 221.00 Ų |
| XlogP | -0.40 |
| CHEBI:169061 |
| 3,4-dihydroxy-5-[(3,6,10,13-tetrahydroxy-7,14-dioxo-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),3,5,8(16),10,12-hexaen-5-yl)oxy]benzoic acid |
| 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 | 98.70% | 91.11% |
| CHEMBL3194 | P02766 | Transthyretin | 97.07% | 90.71% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 94.20% | 94.42% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.89% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.11% | 99.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.36% | 89.00% |
| CHEMBL1811 | P34995 | Prostanoid EP1 receptor | 90.08% | 95.71% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.73% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.37% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.02% | 99.23% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 86.34% | 89.34% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 85.71% | 81.11% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.56% | 99.15% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.99% | 91.19% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.61% | 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.
| Rosa henryi |
| PubChem | 136784551 |
| LOTUS | LTS0199518 |
| wikiData | Q104402126 |