(2S)-5,7-dimethoxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3-dihydrochromen-4-one
Internal ID | da99c2ce-a2dc-43bd-8e80-93e106223393 |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides |
IUPAC Name | (2S)-5,7-dimethoxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3-dihydrochromen-4-one |
SMILES (Canonical) | COC1=CC2=C(C(=O)CC(O2)C3=CC=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O)C(=C1)OC |
SMILES (Isomeric) | COC1=CC2=C(C(=O)C[C@H](O2)C3=CC=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C(=C1)OC |
InChI | InChI=1S/C23H26O10/c1-29-13-7-16(30-2)19-14(25)9-15(32-17(19)8-13)11-3-5-12(6-4-11)31-23-22(28)21(27)20(26)18(10-24)33-23/h3-8,15,18,20-24,26-28H,9-10H2,1-2H3/t15-,18+,20+,21-,22+,23+/m0/s1 |
InChI Key | KPHSYVQPRXVMRG-MBTNQKKPSA-N |
Popularity | 0 references in papers |
Molecular Formula | C23H26O10 |
Molecular Weight | 462.40 g/mol |
Exact Mass | 462.15259702 g/mol |
Topological Polar Surface Area (TPSA) | 144.00 Ų |
XlogP | 0.70 |
There are no found synonyms. |
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 | 98.39% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.21% | 96.09% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 96.10% | 97.09% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.40% | 85.14% |
CHEMBL4208 | P20618 | Proteasome component C5 | 93.39% | 90.00% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.18% | 94.00% |
CHEMBL2581 | P07339 | Cathepsin D | 92.09% | 98.95% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.07% | 95.56% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.39% | 86.33% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.89% | 95.89% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.99% | 99.17% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 88.26% | 86.92% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.56% | 96.00% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.05% | 89.00% |
CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 86.98% | 96.21% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.93% | 94.45% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.83% | 92.62% |
CHEMBL3401 | O75469 | Pregnane X receptor | 80.72% | 94.73% |
CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 80.30% | 97.36% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.12% | 95.89% |
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.
Viscum album |
PubChem | 163086435 |
LOTUS | LTS0227045 |
wikiData | Q104888557 |