Ombuin-3-O-rutinoside; Ombuin-3beta-rutinoside
| Internal ID | e20b83c3-433d-45b3-a8db-b26d8917b9cd |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-3-O-glycosides |
| IUPAC Name | 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one |
| SMILES (Canonical) | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)OC)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O |
| SMILES (Isomeric) | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)OC)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O |
| InChI | InChI=1S/C29H34O16/c1-10-19(32)22(35)24(37)28(42-10)41-9-17-20(33)23(36)25(38)29(44-17)45-27-21(34)18-14(31)7-12(39-2)8-16(18)43-26(27)11-4-5-15(40-3)13(30)6-11/h4-8,10,17,19-20,22-25,28-33,35-38H,9H2,1-3H3 |
| InChI Key | VVSFMIXQNYRGMG-UHFFFAOYSA-N |
| Popularity | 6 references in papers |
| Molecular Formula | C29H34O16 |
| Molecular Weight | 638.60 g/mol |
| Exact Mass | 638.18468499 g/mol |
| Topological Polar Surface Area (TPSA) | 244.00 Ų |
| XlogP | -0.60 |
| Ombuin-3-O-rutinoside; Ombuin-3beta-rutinoside |
| 5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one |
| 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.66% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.56% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 97.68% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.82% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.09% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.91% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.77% | 96.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.93% | 91.49% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 93.18% | 99.15% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.06% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.58% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.40% | 94.73% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 88.56% | 95.78% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 85.03% | 97.36% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.85% | 97.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.46% | 90.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.24% | 95.89% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.15% | 96.00% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 82.60% | 86.92% |
| CHEMBL3194 | P02766 | Transthyretin | 82.56% | 90.71% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 80.77% | 95.53% |
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.
| Gynostemma pentaphyllum |
| Kaempferia parviflora |
| Lathyrus davidii |
| PubChem | 12313725 |
| LOTUS | LTS0098868 |
| wikiData | Q104400097 |