(2S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2R,3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-2,3-dihydrochromen-4-one
Internal ID | 4ac10199-d8a7-4bf2-8d95-e9502e6dd9ed |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > Flavanones |
IUPAC Name | (2S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2R,3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-2,3-dihydrochromen-4-one |
SMILES (Canonical) | C1C(OC2=CC(=CC(=C2C1=O)O)OC3C(C(C(OC3O)CO)O)O)C4=CC(=C(C=C4)O)O |
SMILES (Isomeric) | C1[C@H](OC2=CC(=CC(=C2C1=O)O)O[C@@H]3[C@H]([C@@H]([C@H](O[C@H]3O)CO)O)O)C4=CC(=C(C=C4)O)O |
InChI | InChI=1S/C21H22O11/c22-7-16-18(27)19(28)20(21(29)32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-5,14,16,18-25,27-29H,6-7H2/t14-,16+,18+,19-,20+,21+/m0/s1 |
InChI Key | ICUXFUQTKUSIFH-SFTVRKLSSA-N |
Popularity | 0 references in papers |
Molecular Formula | C21H22O11 |
Molecular Weight | 450.40 g/mol |
Exact Mass | 450.11621151 g/mol |
Topological Polar Surface Area (TPSA) | 186.00 Ų |
XlogP | 0.20 |
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 | 99.69% | 91.11% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 96.76% | 97.09% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.64% | 96.09% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 93.49% | 99.15% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.45% | 94.45% |
CHEMBL2581 | P07339 | Cathepsin D | 91.74% | 98.95% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 91.41% | 86.92% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.81% | 89.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.94% | 95.56% |
CHEMBL4208 | P20618 | Proteasome component C5 | 88.88% | 90.00% |
CHEMBL4040 | P28482 | MAP kinase ERK2 | 88.82% | 83.82% |
CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 87.56% | 96.21% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.41% | 95.89% |
CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 85.11% | 94.80% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.01% | 94.00% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 83.61% | 95.93% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.14% | 99.17% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.87% | 99.23% |
CHEMBL3194 | P02766 | Transthyretin | 81.97% | 90.71% |
CHEMBL3401 | O75469 | Pregnane X receptor | 81.67% | 94.73% |
CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 81.42% | 95.78% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.13% | 86.33% |
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.
Cyclopia intermedia |
PubChem | 163033630 |
LOTUS | LTS0228336 |
wikiData | Q105111178 |