5-Hydroxy-8-[5-(5-hydroxy-7-methoxy-4-oxochromen-2-yl)-2-methoxyphenyl]-2-(4-hydroxyphenyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Internal ID | d327a662-1431-47e9-a5f5-b63321010139 |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Biflavonoids and polyflavonoids |
IUPAC Name | 5-hydroxy-8-[5-(5-hydroxy-7-methoxy-4-oxochromen-2-yl)-2-methoxyphenyl]-2-(4-hydroxyphenyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
SMILES (Canonical) | COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC)O)C4=C(C=C(C5=C4OC(=CC5=O)C6=CC=C(C=C6)O)O)OC7C(C(C(C(O7)CO)O)O)O |
SMILES (Isomeric) | COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC)O)C4=C(C=C(C5=C4OC(=CC5=O)C6=CC=C(C=C6)O)O)OC7C(C(C(C(O7)CO)O)O)O |
InChI | InChI=1S/C38H32O15/c1-48-19-10-21(41)32-22(42)12-27(50-28(32)11-19)17-5-8-25(49-2)20(9-17)31-29(52-38-36(47)35(46)34(45)30(15-39)53-38)14-24(44)33-23(43)13-26(51-37(31)33)16-3-6-18(40)7-4-16/h3-14,30,34-36,38-41,44-47H,15H2,1-2H3 |
InChI Key | HCAACQQXSMJKAH-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C38H32O15 |
Molecular Weight | 728.60 g/mol |
Exact Mass | 728.17412031 g/mol |
Topological Polar Surface Area (TPSA) | 231.00 Ų |
XlogP | 3.90 |
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 | 98.71% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 98.13% | 98.95% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.01% | 85.14% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 97.84% | 94.00% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.44% | 89.00% |
CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 95.93% | 96.21% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 94.60% | 99.15% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 94.28% | 86.92% |
CHEMBL242 | Q92731 | Estrogen receptor beta | 93.44% | 98.35% |
CHEMBL3194 | P02766 | Transthyretin | 93.31% | 90.71% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.43% | 95.56% |
CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 90.48% | 95.78% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.79% | 99.17% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.76% | 86.33% |
CHEMBL3401 | O75469 | Pregnane X receptor | 88.04% | 94.73% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.81% | 95.89% |
CHEMBL5747 | Q92793 | CREB-binding protein | 85.58% | 95.12% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.38% | 97.09% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.63% | 96.09% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.28% | 97.14% |
CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 84.05% | 91.71% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.01% | 95.89% |
CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 81.77% | 95.64% |
CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 81.54% | 83.57% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.59% | 96.00% |
CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 80.50% | 95.53% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.25% | 90.71% |
CHEMBL4208 | P20618 | Proteasome component C5 | 80.17% | 90.00% |
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.
Ginkgo biloba |
PubChem | 73000790 |
LOTUS | LTS0247548 |
wikiData | Q105025563 |