Cyanidin 3-b-L-arabinoside
Internal ID | 06ff8441-fe60-4a10-bf2f-abeb9d1debc9 |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Anthocyanins > Anthocyanidin-3-O-glycosides |
IUPAC Name | 3-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)chromenylium-5,7-diol |
SMILES (Canonical) | C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(O4)CO)O)O)O)O)O)O |
SMILES (Isomeric) | C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2O[C@@H]4[C@@H]([C@H]([C@@H](O4)CO)O)O)O)O)O)O |
InChI | InChI=1S/C20H18O10/c21-7-16-17(26)18(27)20(30-16)29-15-6-10-12(24)4-9(22)5-14(10)28-19(15)8-1-2-11(23)13(25)3-8/h1-6,16-18,20-21,26-27H,7H2,(H3-,22,23,24,25)/p+1/t16-,17-,18+,20-/m0/s1 |
InChI Key | SBBFXSBQYRSIPP-GNBUJSLZSA-O |
Popularity | 0 references in papers |
Molecular Formula | C20H19O10+ |
Molecular Weight | 419.40 g/mol |
Exact Mass | 419.09782180 g/mol |
Topological Polar Surface Area (TPSA) | 161.00 Ų |
XlogP | 0.00 |
CHEBI:176345 |
DTXSID801341481 |
3-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)chromenylium-5,7-diol |
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 | 99.29% | 91.11% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 95.06% | 91.49% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 94.22% | 99.15% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.22% | 89.00% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.00% | 96.09% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.39% | 94.00% |
CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 88.82% | 95.78% |
CHEMBL2581 | P07339 | Cathepsin D | 88.55% | 98.95% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.42% | 99.17% |
CHEMBL3194 | P02766 | Transthyretin | 86.69% | 90.71% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 86.00% | 86.92% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.99% | 86.33% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.75% | 92.94% |
CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 84.66% | 89.62% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.52% | 97.09% |
CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 81.60% | 95.83% |
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.
Aronia melanocarpa |
Malus pumila |
Vaccinium angustifolium |
Vaccinium corymbosum |
Vitis aestivalis |
PubChem | 131752259 |
LOTUS | LTS0243985 |
wikiData | Q104667381 |