(3R,9S)-3-(2,4-dihydroxyphenyl)-5,9-dihydroxy-8,8-dimethyl-2,3,9,10-tetrahydropyrano[2,3-h]chromen-4-one
| Internal ID | 75906b98-63bb-40f4-8bea-6a0d7b9e5ec4 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavans > Isoflavanones > 8-prenylated isoflavanones |
| IUPAC Name | (3R,9S)-3-(2,4-dihydroxyphenyl)-5,9-dihydroxy-8,8-dimethyl-2,3,9,10-tetrahydropyrano[2,3-h]chromen-4-one |
| SMILES (Canonical) | CC1(C(CC2=C(O1)C=C(C3=C2OCC(C3=O)C4=C(C=C(C=C4)O)O)O)O)C |
| SMILES (Isomeric) | CC1([C@H](CC2=C(O1)C=C(C3=C2OC[C@H](C3=O)C4=C(C=C(C=C4)O)O)O)O)C |
| InChI | InChI=1S/C20H20O7/c1-20(2)16(24)6-11-15(27-20)7-14(23)17-18(25)12(8-26-19(11)17)10-4-3-9(21)5-13(10)22/h3-5,7,12,16,21-24H,6,8H2,1-2H3/t12-,16-/m0/s1 |
| InChI Key | YBSZKJGFDYIZGI-LRDDRELGSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H20O7 |
| Molecular Weight | 372.40 g/mol |
| Exact Mass | 372.12090297 g/mol |
| Topological Polar Surface Area (TPSA) | 116.00 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
![2D Structure of (3R,9S)-3-(2,4-dihydroxyphenyl)-5,9-dihydroxy-8,8-dimethyl-2,3,9,10-tetrahydropyrano[2,3-h]chromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/1461add0-84b1-11ee-b752-95e11aaa7d6a.jpg "2D Structure of (3R,9S)-3-(2,4-dihydroxyphenyl)-5,9-dihydroxy-8,8-dimethyl-2,3,9,10-tetrahydropyrano[2,3-h]chromen-4-one")
| 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 | 99.31% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.30% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.42% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.42% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.71% | 89.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.63% | 96.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 91.36% | 93.40% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.57% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.00% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.79% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.73% | 99.23% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.05% | 85.14% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 86.60% | 83.82% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.81% | 90.71% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 83.70% | 95.62% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.74% | 94.73% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 82.08% | 85.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.05% | 97.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 82.03% | 95.93% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.84% | 98.75% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 81.46% | 85.11% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 81.27% | 90.93% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.62% | 99.15% |
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.
| Phaseolus lunatus |
| PubChem | 162921439 |
| LOTUS | LTS0074030 |
| wikiData | Q105346036 |