Afzelechin-(4alpha-->8)-epiafzelechin
Internal ID | bc372021-f5dd-4e64-81c7-d673c4e29ce9 |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Biflavonoids and polyflavonoids |
IUPAC Name | 2-(4-hydroxyphenyl)-8-[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol |
SMILES (Canonical) | C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC=C(C=C5)O)O)O)O)C6=CC=C(C=C6)O)O |
SMILES (Isomeric) | C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC=C(C=C5)O)O)O)O)C6=CC=C(C=C6)O)O |
InChI | InChI=1S/C30H26O10/c31-15-5-1-13(2-6-15)28-22(37)11-18-19(34)12-21(36)25(30(18)40-28)26-24-20(35)9-17(33)10-23(24)39-29(27(26)38)14-3-7-16(32)8-4-14/h1-10,12,22,26-29,31-38H,11H2 |
InChI Key | JESPWQGCCOLVKQ-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C30H26O10 |
Molecular Weight | 546.50 g/mol |
Exact Mass | 546.15259702 g/mol |
Topological Polar Surface Area (TPSA) | 180.00 Ų |
XlogP | 3.10 |
1383627-30-2 |
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 |
---|---|---|---|---|
CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.32% | 83.82% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.23% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.37% | 96.09% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.75% | 97.09% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.68% | 89.00% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 88.61% | 91.49% |
CHEMBL2535 | P11166 | Glucose transporter | 87.77% | 98.75% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.81% | 95.56% |
CHEMBL3401 | O75469 | Pregnane X receptor | 84.40% | 94.73% |
CHEMBL4208 | P20618 | Proteasome component C5 | 84.09% | 90.00% |
CHEMBL2581 | P07339 | Cathepsin D | 83.41% | 98.95% |
CHEMBL3194 | P02766 | Transthyretin | 82.51% | 90.71% |
CHEMBL1929 | P47989 | Xanthine dehydrogenase | 81.74% | 96.12% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.62% | 94.45% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.62% | 99.15% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.71% | 95.89% |
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.
Actinidia chinensis |
Cassia fistula |
Cassia javanica |
Dicranopteris pedata |
Kandelia candel |
PubChem | 5089481 |
LOTUS | LTS0139553 |
wikiData | Q105126381 |