5,7-Dihydroxy-2-phenyl-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Internal ID | c46bc503-43c2-46f6-98e5-83f9c73b7c18 |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides |
IUPAC Name | 5,7-dihydroxy-2-phenyl-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
SMILES (Canonical) | C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)OC4C(C(C(C(O4)CO)O)O)O)O |
SMILES (Isomeric) | C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)OC4C(C(C(C(O4)CO)O)O)O)O |
InChI | InChI=1S/C21H20O10/c22-8-14-16(25)18(27)19(28)21(30-14)31-20-11(24)7-13-15(17(20)26)10(23)6-12(29-13)9-4-2-1-3-5-9/h1-7,14,16,18-19,21-22,24-28H,8H2 |
InChI Key | WTYYPLMAODUDGW-UHFFFAOYSA-N |
Popularity | 1 reference in papers |
Molecular Formula | C21H20O10 |
Molecular Weight | 432.40 g/mol |
Exact Mass | 432.10564683 g/mol |
Topological Polar Surface Area (TPSA) | 166.00 Ų |
XlogP | 0.90 |
There are no found synonyms. |
![2D Structure of 5,7-Dihydroxy-2-phenyl-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one 2D Structure of 5,7-Dihydroxy-2-phenyl-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/57-dihydroxy-2-phenyl-6-345-trihydroxy-6-hydroxymethyloxan-2-yloxychromen-4-one.jpg)
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 | 99.77% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 96.73% | 98.95% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.73% | 89.00% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.55% | 94.00% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.44% | 85.14% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.45% | 99.15% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.45% | 95.56% |
CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 90.16% | 83.57% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.69% | 86.33% |
CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 86.63% | 94.23% |
CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 84.57% | 94.62% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.26% | 95.50% |
CHEMBL3401 | O75469 | Pregnane X receptor | 82.65% | 94.73% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.12% | 99.17% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.23% | 99.23% |
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.
Cephalocereus senilis |
PubChem | 12443368 |
LOTUS | LTS0091709 |
wikiData | Q105312874 |