[(E,2R,3R,4S,5R)-9-(3,4-dihydroxyphenyl)-2,3,4,5-tetrahydroxy-6-oxonon-8-enyl] hydrogen sulfate
Internal ID | 3dbc321f-d290-4a73-b19b-828124454e2d |
Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Monosaccharides > Monosaccharide sulfates |
IUPAC Name | [(E,2R,3R,4S,5R)-9-(3,4-dihydroxyphenyl)-2,3,4,5-tetrahydroxy-6-oxonon-8-enyl] hydrogen sulfate |
SMILES (Canonical) | C1=CC(=C(C=C1C=CCC(=O)C(C(C(C(COS(=O)(=O)O)O)O)O)O)O)O |
SMILES (Isomeric) | C1=CC(=C(C=C1/C=C/CC(=O)[C@@H]([C@H]([C@@H]([C@@H](COS(=O)(=O)O)O)O)O)O)O)O |
InChI | InChI=1S/C15H20O11S/c16-9-5-4-8(6-11(9)18)2-1-3-10(17)13(20)15(22)14(21)12(19)7-26-27(23,24)25/h1-2,4-6,12-16,18-22H,3,7H2,(H,23,24,25)/b2-1+/t12-,13+,14-,15-/m1/s1 |
InChI Key | LQWZSKHVIOIOCY-SRNWTRKMSA-N |
Popularity | 0 references in papers |
Molecular Formula | C15H20O11S |
Molecular Weight | 408.40 g/mol |
Exact Mass | 408.07263262 g/mol |
Topological Polar Surface Area (TPSA) | 210.00 Ų |
XlogP | -2.10 |
There are no found synonyms. |
![2D Structure of [(E,2R,3R,4S,5R)-9-(3,4-dihydroxyphenyl)-2,3,4,5-tetrahydroxy-6-oxonon-8-enyl] hydrogen sulfate 2D Structure of [(E,2R,3R,4S,5R)-9-(3,4-dihydroxyphenyl)-2,3,4,5-tetrahydroxy-6-oxonon-8-enyl] hydrogen sulfate](https://plantaedb.com/storage/docs/compounds/2023/11/e2r3r4s5r-9-34-dihydroxyphenyl-2345-tetrahydroxy-6-oxonon-8-enyl-hydrogen-sulfate.jpg)
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 | 97.52% | 91.11% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 95.31% | 96.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.25% | 95.56% |
CHEMBL3194 | P02766 | Transthyretin | 89.58% | 90.71% |
CHEMBL2581 | P07339 | Cathepsin D | 86.83% | 98.95% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.83% | 89.00% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.90% | 96.09% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.48% | 86.33% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 84.99% | 91.49% |
CHEMBL3401 | O75469 | Pregnane X receptor | 84.39% | 94.73% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.20% | 90.71% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.52% | 99.15% |
CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.98% | 96.95% |
CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 82.83% | 91.71% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.08% | 99.17% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.94% | 94.45% |
CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.11% | 97.21% |
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.
Cystopteris fragilis |
PubChem | 163189333 |
LOTUS | LTS0108242 |
wikiData | Q105155936 |