(3S,4S)-3,5-dihydroxy-7-(4-hydroxyphenyl)-4-methoxy-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-6-one
Internal ID | 016a156f-29b7-46ac-8e89-5f2d5cd0c426 |
Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavans > Isoflavanones > 6-prenylated isoflavanones |
IUPAC Name | (3S,4S)-3,5-dihydroxy-7-(4-hydroxyphenyl)-4-methoxy-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-6-one |
SMILES (Canonical) | CC1(C(C(C2=C(O1)C=C3C(=C2O)C(=O)C(=CO3)C4=CC=C(C=C4)O)OC)O)C |
SMILES (Isomeric) | CC1([C@H]([C@H](C2=C(O1)C=C3C(=C2O)C(=O)C(=CO3)C4=CC=C(C=C4)O)OC)O)C |
InChI | InChI=1S/C21H20O7/c1-21(2)20(25)19(26-3)16-14(28-21)8-13-15(18(16)24)17(23)12(9-27-13)10-4-6-11(22)7-5-10/h4-9,19-20,22,24-25H,1-3H3/t19-,20-/m0/s1 |
InChI Key | QLZWONVOGYYLGJ-PMACEKPBSA-N |
Popularity | 0 references in papers |
Molecular Formula | C21H20O7 |
Molecular Weight | 384.40 g/mol |
Exact Mass | 384.12090297 g/mol |
Topological Polar Surface Area (TPSA) | 105.00 Ų |
XlogP | 2.50 |
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 | 99.35% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 97.82% | 98.95% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.55% | 89.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.04% | 86.33% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.54% | 94.00% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.29% | 94.45% |
CHEMBL4040 | P28482 | MAP kinase ERK2 | 89.49% | 83.82% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.93% | 96.09% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.68% | 95.56% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.82% | 85.14% |
CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 85.15% | 97.28% |
CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 84.67% | 95.53% |
CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 84.43% | 95.78% |
CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 83.63% | 91.71% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.44% | 99.15% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.56% | 95.89% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.24% | 90.71% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.12% | 99.23% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.64% | 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.
Laburnum anagyroidis |
PubChem | 154496146 |
LOTUS | LTS0097642 |
wikiData | Q105223858 |