Chrysophanol 1-triglucoside
Internal ID | fc6a7fbe-cbef-4d46-9e77-b8bcb17e0833 |
Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Oligosaccharides |
IUPAC Name | 1-[6-[[3,5-dihydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-8-hydroxy-3-methylanthracene-9,10-dione |
SMILES (Canonical) | CC1=CC2=C(C(=C1)OC3C(C(C(C(O3)COC4C(C(C(C(O4)CO)O)OC5C(C(C(C(O5)CO)O)O)O)O)O)O)O)C(=O)C6=C(C2=O)C=CC=C6O |
SMILES (Isomeric) | CC1=CC2=C(C(=C1)OC3C(C(C(C(O3)COC4C(C(C(C(O4)CO)O)OC5C(C(C(C(O5)CO)O)O)O)O)O)O)O)C(=O)C6=C(C2=O)C=CC=C6O |
InChI | InChI=1S/C33H40O19/c1-10-5-12-19(24(41)18-11(20(12)37)3-2-4-13(18)36)14(6-10)48-32-27(44)26(43)22(39)17(51-32)9-47-31-29(46)30(23(40)16(8-35)49-31)52-33-28(45)25(42)21(38)15(7-34)50-33/h2-6,15-17,21-23,25-36,38-40,42-46H,7-9H2,1H3 |
InChI Key | SOWISUOFXLRAML-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C33H40O19 |
Molecular Weight | 740.70 g/mol |
Exact Mass | 740.21637904 g/mol |
Topological Polar Surface Area (TPSA) | 312.00 Ų |
XlogP | -2.50 |
1-[6-[[3,5-dihydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-8-hydroxy-3-methylanthracene-9,10-dione |
120181-07-9 |
CHEBI:191679 |
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 |
---|---|---|---|---|
CHEMBL2581 | P07339 | Cathepsin D | 98.90% | 98.95% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 98.86% | 91.49% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.02% | 91.11% |
CHEMBL3401 | O75469 | Pregnane X receptor | 96.78% | 94.73% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.60% | 95.56% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.39% | 89.00% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 91.77% | 95.93% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.33% | 86.33% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.27% | 99.23% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.12% | 94.00% |
CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 90.36% | 96.21% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.66% | 96.09% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.74% | 99.15% |
CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 83.65% | 96.90% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 83.27% | 86.92% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.23% | 96.00% |
CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.84% | 96.95% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.65% | 95.89% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.81% | 99.17% |
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.
Senna obtusifolia |
Senna tora |
PubChem | 14213506 |
LOTUS | LTS0246051 |
wikiData | Q105257249 |