7-Hydroxy-5-methoxy-3-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
Internal ID | eabeded3-05ab-42dd-9336-6d63791d8108 |
Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavonoid O-glycosides |
IUPAC Name | 7-hydroxy-5-methoxy-3-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one |
SMILES (Canonical) | COC1=CC(=CC2=C1C(=O)C(=CO2)C3=CC=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O)O |
SMILES (Isomeric) | COC1=CC(=CC2=C1C(=O)C(=CO2)C3=CC=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O)O |
InChI | InChI=1S/C22H22O10/c1-29-14-6-11(24)7-15-17(14)18(25)13(9-30-15)10-2-4-12(5-3-10)31-22-21(28)20(27)19(26)16(8-23)32-22/h2-7,9,16,19-24,26-28H,8H2,1H3 |
InChI Key | XBLGUPVQHSFIBP-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C22H22O10 |
Molecular Weight | 446.40 g/mol |
Exact Mass | 446.12129689 g/mol |
Topological Polar Surface Area (TPSA) | 155.00 Ų |
XlogP | 0.60 |
There are no found synonyms. |
![2D Structure of 7-Hydroxy-5-methoxy-3-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one 2D Structure of 7-Hydroxy-5-methoxy-3-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/7-hydroxy-5-methoxy-3-4-345-trihydroxy-6-hydroxymethyloxan-2-yloxyphenylchromen-4-one.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 | 98.91% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 96.93% | 98.95% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.68% | 94.00% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.68% | 96.09% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.66% | 89.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.36% | 86.33% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.30% | 99.17% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 90.59% | 86.92% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.05% | 95.56% |
CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 89.84% | 96.21% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.08% | 96.00% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.25% | 99.15% |
CHEMBL1907 | P15144 | Aminopeptidase N | 86.02% | 93.31% |
CHEMBL4208 | P20618 | Proteasome component C5 | 85.88% | 90.00% |
CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 84.54% | 95.78% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.01% | 97.09% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.97% | 95.89% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.79% | 95.89% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.78% | 90.71% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.02% | 97.14% |
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.
Cotoneaster simonsii |
PubChem | 162859079 |
LOTUS | LTS0072967 |
wikiData | Q105324566 |