9-methoxy-7-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-[1,3]dioxolo[4,5-g]chromen-8-one
Internal ID | 9533dd25-cb20-415c-bf13-9b20817760fd |
Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavonoid O-glycosides |
IUPAC Name | 9-methoxy-7-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-[1,3]dioxolo[4,5-g]chromen-8-one |
SMILES (Canonical) | COC1=C2C(=CC3=C1OCO3)OC=C(C2=O)C4=CC=C(C=C4)OC5C(C(C(C(O5)CO)O)O)O |
SMILES (Isomeric) | COC1=C2C(=CC3=C1OCO3)OC=C(C2=O)C4=CC=C(C=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O |
InChI | InChI=1S/C23H22O11/c1-29-22-16-13(6-14-21(22)32-9-31-14)30-8-12(17(16)25)10-2-4-11(5-3-10)33-23-20(28)19(27)18(26)15(7-24)34-23/h2-6,8,15,18-20,23-24,26-28H,7,9H2,1H3/t15-,18-,19+,20-,23-/m1/s1 |
InChI Key | MLRDPISQDDYRHC-BSTKLLGTSA-N |
Popularity | 0 references in papers |
Molecular Formula | C23H22O11 |
Molecular Weight | 474.40 g/mol |
Exact Mass | 474.11621151 g/mol |
Topological Polar Surface Area (TPSA) | 153.00 Ų |
XlogP | 0.80 |
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 | 99.29% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 97.09% | 98.95% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 97.05% | 96.77% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.64% | 94.00% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.53% | 96.09% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 93.90% | 95.93% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.41% | 97.09% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.64% | 89.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.49% | 86.33% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 90.52% | 92.62% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.11% | 95.56% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.93% | 96.00% |
CHEMBL4208 | P20618 | Proteasome component C5 | 87.52% | 90.00% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.48% | 94.45% |
CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 85.40% | 95.83% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.20% | 99.17% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.05% | 95.89% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.03% | 85.14% |
CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 81.51% | 94.80% |
CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 81.31% | 82.67% |
CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 81.18% | 95.53% |
CHEMBL1907 | P15144 | Aminopeptidase N | 80.95% | 93.31% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.27% | 99.15% |
CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 80.19% | 96.09% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 80.11% | 86.92% |
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.
Iris pseudopumila |
PubChem | 10961746 |
LOTUS | LTS0181954 |
wikiData | Q104888991 |