Curguligine B
| Internal ID | 4c520e72-ef38-497f-9b59-8397a76c7daf |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | 2-(2,4-dichloro-5-methoxy-3-methylphenoxy)-6-[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]oxane-3,4,5-triol |
| SMILES (Canonical) | CC1=C(C(=CC(=C1Cl)OC2C(C(C(C(O2)COC3C(C(CO3)(CO)O)O)O)O)O)OC)Cl |
| SMILES (Isomeric) | CC1=C(C(=CC(=C1Cl)OC2C(C(C(C(O2)COC3C(C(CO3)(CO)O)O)O)O)O)OC)Cl |
| InChI | InChI=1S/C19H26Cl2O11/c1-7-11(20)8(28-2)3-9(12(7)21)31-17-15(25)14(24)13(23)10(32-17)4-29-18-16(26)19(27,5-22)6-30-18/h3,10,13-18,22-27H,4-6H2,1-2H3 |
| InChI Key | UPPPHLGODNLFAD-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C19H26Cl2O11 |
| Molecular Weight | 501.30 g/mol |
| Exact Mass | 500.0852170 g/mol |
| Topological Polar Surface Area (TPSA) | 168.00 Ų |
| XlogP | -0.40 |
| 143601-10-9 |
| 2,4-Dichloro-3-methyl-5-methoxyphenol-O-beta-D-apiofuranosyl(1-6)-beta-D-glucopyranoside |
| 2-(2,4-dichloro-5-methoxy-3-methylphenoxy)-6-[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]oxane-3,4,5-triol |
| Curculigin B |
| DTXSID80931964 |
| 2,4-Dichloro-5-methoxy-3-methylphenyl 6-O-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]hexopyranoside |
| 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 | 98.63% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.11% | 94.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 92.08% | 95.93% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.82% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.38% | 96.09% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 89.60% | 97.21% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.55% | 86.33% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 89.23% | 96.95% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 88.68% | 86.92% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 88.57% | 89.62% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.73% | 94.45% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.61% | 96.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.00% | 97.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.44% | 92.94% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.33% | 95.89% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 85.70% | 93.18% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 85.68% | 97.36% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 85.60% | 96.90% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.88% | 94.73% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.55% | 97.14% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 84.18% | 98.75% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.96% | 92.62% |
| CHEMBL5957 | P21589 | 5'-nucleotidase | 82.90% | 97.78% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.79% | 90.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.45% | 95.50% |
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.
| Curculigo orchioides |
| Curcuma zedoaria |
| PubChem | 197492 |
| NPASS | NPC118047 |
| LOTUS | LTS0205301 |
| wikiData | Q82907596 |