(3R)-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(3,4,5-trimethoxyphenyl)-3,4-dihydroisochromen-1-one
Internal ID | 82bcad32-2344-4ab5-afc6-aed4fafa44a8 |
Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
IUPAC Name | (3R)-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(3,4,5-trimethoxyphenyl)-3,4-dihydroisochromen-1-one |
SMILES (Canonical) | COC1=CC(=CC(=C1OC)OC)C2CC3=C(C(=CC=C3)OC4C(C(C(C(O4)CO)O)O)O)C(=O)O2 |
SMILES (Isomeric) | COC1=CC(=CC(=C1OC)OC)[C@H]2CC3=C(C(=CC=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C(=O)O2 |
InChI | InChI=1S/C24H28O11/c1-30-15-8-12(9-16(31-2)22(15)32-3)14-7-11-5-4-6-13(18(11)23(29)33-14)34-24-21(28)20(27)19(26)17(10-25)35-24/h4-6,8-9,14,17,19-21,24-28H,7,10H2,1-3H3/t14-,17-,19-,20+,21-,24-/m1/s1 |
InChI Key | MJWZLKCDHYQYPT-JJMUKZPFSA-N |
Popularity | 0 references in papers |
Molecular Formula | C24H28O11 |
Molecular Weight | 492.50 g/mol |
Exact Mass | 492.16316171 g/mol |
Topological Polar Surface Area (TPSA) | 153.00 Ų |
XlogP | 1.10 |
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 |
---|---|---|---|---|
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.72% | 85.14% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.44% | 96.09% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.89% | 91.11% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.60% | 86.33% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.24% | 95.56% |
CHEMBL2581 | P07339 | Cathepsin D | 94.07% | 98.95% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.13% | 97.09% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 91.00% | 95.89% |
CHEMBL220 | P22303 | Acetylcholinesterase | 90.14% | 94.45% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.57% | 89.00% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.64% | 99.17% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.17% | 94.00% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.87% | 95.89% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.63% | 96.00% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.33% | 94.45% |
CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 86.30% | 94.03% |
CHEMBL4302 | P08183 | P-glycoprotein 1 | 86.09% | 92.98% |
CHEMBL2535 | P11166 | Glucose transporter | 84.90% | 98.75% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.59% | 97.14% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.63% | 92.62% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.27% | 100.00% |
CHEMBL3401 | O75469 | Pregnane X receptor | 80.15% | 94.73% |
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.
Gentiana tibetica |
PubChem | 154496958 |
LOTUS | LTS0027075 |
wikiData | Q105165712 |