Delphinidin-3-O-sambubioside
Internal ID | e682a4c8-21bd-45de-8fd1-2c76ac68b3a2 |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Anthocyanins > Anthocyanidin-3-O-glycosides |
IUPAC Name | 2-[2-[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol |
SMILES (Canonical) | C1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC4=C(C=C(C=C4[O+]=C3C5=CC(=C(C(=C5)O)O)O)O)O)CO)O)O)O)O)O |
SMILES (Isomeric) | C1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC4=C(C=C(C=C4[O+]=C3C5=CC(=C(C(=C5)O)O)O)O)O)CO)O)O)O)O)O |
InChI | InChI=1S/C26H28O16/c27-6-17-20(35)21(36)24(42-25-22(37)19(34)14(32)7-38-25)26(41-17)40-16-5-10-11(29)3-9(28)4-15(10)39-23(16)8-1-12(30)18(33)13(31)2-8/h1-5,14,17,19-22,24-27,32,34-37H,6-7H2,(H4-,28,29,30,31,33)/p+1 |
InChI Key | TWYYVOVDSNRIJM-UHFFFAOYSA-O |
Popularity | 19 references in papers |
Molecular Formula | C26H29O16+ |
Molecular Weight | 597.50 g/mol |
Exact Mass | 597.14555983 g/mol |
Topological Polar Surface Area (TPSA) | 260.00 Ų |
XlogP | 0.00 |
Delphinidin 3-sambubioside |
Delphinidin 3-O-sambubioside |
DTXSID401341522 |
PD161373 |
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 | 99.81% | 91.11% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 97.52% | 91.49% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.18% | 94.00% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.09% | 89.00% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.28% | 96.09% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 93.08% | 92.94% |
CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 92.80% | 83.57% |
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 92.66% | 94.75% |
CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 89.70% | 97.36% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.52% | 97.09% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.61% | 99.15% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 86.95% | 95.93% |
CHEMBL3194 | P02766 | Transthyretin | 85.71% | 90.71% |
CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 85.67% | 95.83% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.16% | 99.17% |
CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 84.04% | 95.78% |
CHEMBL2581 | P07339 | Cathepsin D | 83.97% | 98.95% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.44% | 92.62% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.00% | 95.89% |
CHEMBL4208 | P20618 | Proteasome component C5 | 82.62% | 90.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.06% | 86.33% |
CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.92% | 89.62% |
CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.71% | 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.
Ribes uva-crispa |
PubChem | 74977035 |
LOTUS | LTS0120239 |
wikiData | Q105266228 |