11-Hydroxy-4-oxo-8-phenyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2-carboxylic acid
Internal ID | 95f984ee-5987-4350-8bae-2d68c97d5207 |
Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
IUPAC Name | 11-hydroxy-4-oxo-8-phenyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2-carboxylic acid |
SMILES (Canonical) | C1=CC=C(C=C1)C2=C3C4=C(C=C2)C(=O)OC(C4=CC(=C3OC5C(C(C(C(O5)CO)O)O)O)O)C(=O)O |
SMILES (Isomeric) | C1=CC=C(C=C1)C2=C3C4=C(C=C2)C(=O)OC(C4=CC(=C3OC5C(C(C(C(O5)CO)O)O)O)O)C(=O)O |
InChI | InChI=1S/C25H22O11/c26-9-15-18(28)19(29)20(30)25(34-15)36-22-14(27)8-13-16-12(24(33)35-21(13)23(31)32)7-6-11(17(16)22)10-4-2-1-3-5-10/h1-8,15,18-21,25-30H,9H2,(H,31,32) |
InChI Key | KUYMUCQWUSNZOX-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C25H22O11 |
Molecular Weight | 498.40 g/mol |
Exact Mass | 498.11621151 g/mol |
Topological Polar Surface Area (TPSA) | 183.00 Ų |
XlogP | 1.50 |
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 | 99.58% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 97.25% | 98.95% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.79% | 99.17% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.32% | 86.33% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.19% | 89.00% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.77% | 99.15% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.31% | 95.56% |
CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 85.90% | 95.64% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.15% | 96.09% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.48% | 94.00% |
CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 81.63% | 96.37% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.17% | 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.
Xiphidium caeruleum |
PubChem | 73119419 |
LOTUS | LTS0117136 |
wikiData | Q105146403 |