3,5-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Internal ID | bd79a6d8-4458-4fe9-8d45-48835f153d58 |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-7-O-glycosides |
IUPAC Name | 3,5-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
SMILES (Canonical) | COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O)O |
SMILES (Isomeric) | COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O |
InChI | InChI=1S/C22H22O12/c1-31-12-3-2-8(4-10(12)24)21-19(29)17(27)15-11(25)5-9(6-13(15)33-21)32-22-20(30)18(28)16(26)14(7-23)34-22/h2-6,14,16,18,20,22-26,28-30H,7H2,1H3/t14-,16-,18+,20-,22-/m1/s1 |
InChI Key | HGZHKWZIXPLKLY-XMHBHJPISA-N |
Popularity | 0 references in papers |
Molecular Formula | C22H22O12 |
Molecular Weight | 478.40 g/mol |
Exact Mass | 478.11112613 g/mol |
Topological Polar Surface Area (TPSA) | 196.00 Ų |
XlogP | 0.70 |
There are no found synonyms. |
![2D Structure of 3,5-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one 2D Structure of 3,5-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/7b58ba30-8263-11ee-957e-ed27d12e299f.jpg)
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 | 98.79% | 91.11% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 97.53% | 94.00% |
CHEMBL2581 | P07339 | Cathepsin D | 96.49% | 98.95% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.04% | 89.00% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.44% | 96.09% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 95.15% | 91.49% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.34% | 85.14% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.93% | 86.33% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.72% | 99.17% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 90.70% | 86.92% |
CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 89.79% | 95.78% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.19% | 99.15% |
CHEMBL3401 | O75469 | Pregnane X receptor | 88.02% | 94.73% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.74% | 95.56% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.32% | 95.89% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.28% | 94.45% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.81% | 97.09% |
CHEMBL3194 | P02766 | Transthyretin | 86.50% | 90.71% |
CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 85.60% | 96.21% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.85% | 96.00% |
CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 82.68% | 95.64% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.76% | 90.71% |
CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 80.10% | 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.
Helleborus viridis |
Lathyrus aphaca |
Sedum sarmentosum |
PubChem | 101151128 |
LOTUS | LTS0203272 |
wikiData | Q104992537 |