(2S)-2-(3,4-dihydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-5,7-dihydroxy-2,3-dihydrochromen-4-one
| Internal ID | d0f6afd6-5fa4-4007-8aaa-79766d322c34 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > 3-prenylated flavans > 3-prenylated flavanones |
| IUPAC Name | (2S)-2-(3,4-dihydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-5,7-dihydroxy-2,3-dihydrochromen-4-one |
| SMILES (Canonical) | CC1(C(C(C2=C(O1)C=CC(=C2)C3CC(=O)C4=C(C=C(C=C4O3)O)O)O)O)C |
| SMILES (Isomeric) | CC1(C(C(C2=C(O1)C=CC(=C2)[C@@H]3CC(=O)C4=C(C=C(C=C4O3)O)O)O)O)C |
| InChI | InChI=1S/C20H20O7/c1-20(2)19(25)18(24)11-5-9(3-4-14(11)27-20)15-8-13(23)17-12(22)6-10(21)7-16(17)26-15/h3-7,15,18-19,21-22,24-25H,8H2,1-2H3/t15-,18?,19?/m0/s1 |
| InChI Key | SJILHXXGADEART-MNNVXMFVSA-N |
| Popularity | 1 reference 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 | 1.60 |
| BDBM50274941 |
| (2S)-3'',4'',5,7-tetrahydroxy-2'',2''-dimethyl-2,6''-bichroman-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 | 99.22% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.61% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.46% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.24% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.30% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.32% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.16% | 97.09% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 90.40% | 96.12% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 90.01% | 96.38% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.60% | 99.23% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.95% | 90.00% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 86.32% | 85.11% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 86.28% | 93.40% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.52% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.06% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.89% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.59% | 86.33% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.90% | 99.15% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 80.86% | 90.93% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 80.33% | 83.82% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.19% | 85.14% |
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.
| Erythrina abyssinica |
| PubChem | 44589217 |
| LOTUS | LTS0230679 |
| wikiData | Q105254316 |