(2R)-Taxiphyllin
Internal ID | c38bf9a1-3cea-4de8-b11b-f964f84bb433 |
Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Cyanogenic glycosides |
IUPAC Name | 2-(4-hydroxyphenyl)-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetonitrile |
SMILES (Canonical) | C1=CC(=CC=C1C(C#N)OC2C(C(C(C(O2)CO)O)O)O)O |
SMILES (Isomeric) | C1=CC(=CC=C1C(C#N)OC2C(C(C(C(O2)CO)O)O)O)O |
InChI | InChI=1S/C14H17NO7/c15-5-9(7-1-3-8(17)4-2-7)21-14-13(20)12(19)11(18)10(6-16)22-14/h1-4,9-14,16-20H,6H2 |
InChI Key | NVLTYOJHPBMILU-UHFFFAOYSA-N |
Popularity | 1 reference in papers |
Molecular Formula | C14H17NO7 |
Molecular Weight | 311.29 g/mol |
Exact Mass | 311.10050188 g/mol |
Topological Polar Surface Area (TPSA) | 143.00 Ų |
XlogP | -0.90 |
Phyllanthoside? |
Phyllanthin? |
SCHEMBL12727838 |
ZINC00895585 |
FT-0770936 |
FT-0774926 |
B0005-189732 |
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 | 98.26% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.41% | 96.09% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 91.48% | 95.93% |
CHEMBL2581 | P07339 | Cathepsin D | 89.52% | 98.95% |
CHEMBL242 | Q92731 | Estrogen receptor beta | 89.02% | 98.35% |
CHEMBL3401 | O75469 | Pregnane X receptor | 86.87% | 94.73% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 86.64% | 86.92% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.47% | 97.09% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.68% | 99.17% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.51% | 96.00% |
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.
PubChem | 4475719 |
LOTUS | LTS0158099 |
wikiData | Q105186300 |