Glucopyranoside, 1-cyano-4,5-dihydroxy-2-cyclopenten-1-YL, beta-D-
Internal ID | 849e0c99-da99-45a2-b8ec-8aef9246d3bb |
Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Cyanogenic glycosides |
IUPAC Name | (1S,4S,5R)-4,5-dihydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclopent-2-ene-1-carbonitrile |
SMILES (Canonical) | C1=CC(C(C1O)O)(C#N)OC2C(C(C(C(O2)CO)O)O)O |
SMILES (Isomeric) | C1=C[C@@]([C@@H]([C@H]1O)O)(C#N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O |
InChI | InChI=1S/C12H17NO8/c13-4-12(2-1-5(15)10(12)19)21-11-9(18)8(17)7(16)6(3-14)20-11/h1-2,5-11,14-19H,3H2/t5-,6+,7+,8-,9+,10+,11-,12-/m0/s1 |
InChI Key | HASDUOHKNMHNJA-WTGJLRKRSA-N |
Popularity | 0 references in papers |
Molecular Formula | C12H17NO8 |
Molecular Weight | 303.26 g/mol |
Exact Mass | 303.09541650 g/mol |
Topological Polar Surface Area (TPSA) | 164.00 Ų |
XlogP | -2.70 |
974UTB4YAU |
14332-17-3 |
NSC-140698 |
NSC-370274 |
NSC 140698 |
NSC 370274 |
UNII-974UTB4YAU |
GYNOCARDIN, (+)- |
2-Cyclopentene-1-carbonitrile, 1-(beta-D-glucopyranosyloxy)-4,5-dihydroxy-, (1alpha,4alpha,5beta)- |
GLUCOPYRANOSIDE, 1-CYANO-4,5-DIHYDROXY-2-CYCLOPENTEN-1-YL, .BETA.-D- |
There are more than 10 synonyms. If you wish to see them all click here. |
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 | 97.20% | 91.11% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 92.06% | 90.17% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.54% | 96.09% |
CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 89.14% | 95.83% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 86.88% | 86.92% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.44% | 97.09% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.09% | 96.00% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.26% | 94.45% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.40% | 89.00% |
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.
Ceratiosicyos laevis |
Kiggelaria africana |
Passiflora incarnata |
Rawsonia lucida |
PubChem | 13942401 |
LOTUS | LTS0189778 |
wikiData | Q104396878 |