Wubangziside A
Internal ID | 028d8420-df2f-4a71-b63a-cd635fd1fa81 |
Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones |
IUPAC Name | 1-hydroxy-7-[3,4,5-trihydroxy-6-[[5-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]oxymethyl]oxan-2-yl]oxyxanthen-9-one |
SMILES (Canonical) | CC1CC(OC1OCC2C(C(C(C(O2)OC3=CC4=C(C=C3)OC5=CC=CC(=C5C4=O)O)O)O)O)(CO)O |
SMILES (Isomeric) | CC1CC(OC1OCC2C(C(C(C(O2)OC3=CC4=C(C=C3)OC5=CC=CC(=C5C4=O)O)O)O)O)(CO)O |
InChI | InChI=1S/C25H28O12/c1-11-8-25(32,10-26)37-23(11)33-9-17-20(29)21(30)22(31)24(36-17)34-12-5-6-15-13(7-12)19(28)18-14(27)3-2-4-16(18)35-15/h2-7,11,17,20-24,26-27,29-32H,8-10H2,1H3 |
InChI Key | XTCXFMKCQXHXFT-UHFFFAOYSA-N |
Popularity | 1 reference in papers |
Molecular Formula | C25H28O12 |
Molecular Weight | 520.50 g/mol |
Exact Mass | 520.15807632 g/mol |
Topological Polar Surface Area (TPSA) | 185.00 Ų |
XlogP | 0.50 |
96935-31-8 |
1-hydroxy-7-[3,4,5-trihydroxy-6-[[5-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]oxymethyl]oxan-2-yl]oxyxanthen-9-one |
Euxanthone-7-O-apiofuranosyl(1-6)glucopyranoside |
9H-Xanthen-9-one, 7-((6-O-D-apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy)-1-hydroxy- |
![2D Structure of Wubangziside A 2D Structure of Wubangziside A](https://plantaedb.com/storage/docs/compounds/2023/11/wubangziside-a.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 | 99.72% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 97.03% | 98.95% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 96.50% | 91.49% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.81% | 89.00% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.66% | 94.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.23% | 95.56% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.87% | 97.09% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.86% | 95.89% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.86% | 96.09% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.72% | 86.33% |
CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 91.70% | 94.80% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.56% | 99.23% |
CHEMBL3401 | O75469 | Pregnane X receptor | 90.41% | 94.73% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.79% | 99.17% |
CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.29% | 96.95% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.39% | 94.45% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.25% | 99.15% |
CHEMBL4581 | P52732 | Kinesin-like protein 1 | 81.64% | 93.18% |
CHEMBL220 | P22303 | Acetylcholinesterase | 80.89% | 94.45% |
CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 80.54% | 97.33% |
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.
Polygala caudata |
PubChem | 5486994 |
LOTUS | LTS0224899 |
wikiData | Q105341462 |